mirror of
https://github.com/CoolProp/CoolProp.git
synced 2026-04-23 03:00:17 -04:00
Merge branch 'master' of https://github.com/coolprop/coolprop
This commit is contained in:
@@ -6,13 +6,13 @@ import sys
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# Here we define the types. This is done to keep the definitions at one
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# central place instead of hiding them somewhere in the data.
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class IncompressibleData(object):
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"""
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The work horse of the incompressible classes.
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Implements both data structures and fitting
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"""
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The work horse of the incompressible classes.
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Implements both data structures and fitting
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procedures.
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"""
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"""
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INCOMPRESSIBLE_NOT_SET = 'notdefined'
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INCOMPRESSIBLE_POLYNOMIAL = 'polynomial'
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INCOMPRESSIBLE_EXPPOLYNOMIAL = 'exppolynomial'
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@@ -20,19 +20,19 @@ class IncompressibleData(object):
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INCOMPRESSIBLE_LOGEXPONENTIAL= 'logexponential'
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INCOMPRESSIBLE_POLYOFFSET = 'polyoffset'
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INCOMPRESSIBLE_CHEBYSHEV = 'chebyshev'
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SOURCE_DATA = 'data'
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SOURCE_EQUATION = 'equation'
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SOURCE_COEFFS = 'coefficients'
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SOURCE_NOT_SET = 'notdefined'
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maxLin = np.finfo(np.float64).max-1
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minLin = -maxLin
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maxLog = np.log(maxLin)
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minLog = -maxLog
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def __init__(self):
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def __init__(self):
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self.source = self.SOURCE_NOT_SET
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self.type = self.INCOMPRESSIBLE_NOT_SET
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self.coeffs = None #np.zeros((4,4))
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@@ -41,34 +41,34 @@ class IncompressibleData(object):
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self.yData = None # In case you need a customised second data set (concentration?)
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self.sErr = None # Coefficient of determination
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self.DEBUG = False
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@staticmethod
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def baseFunc(x, y=0.0, xbase=0.0, ybase=0.0, eqnType=None, c=None):
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if eqnType==None: raise ValueError("You did not provide data for eqnType.")
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if c==None: raise ValueError("You did not provide data for the coefficients.")
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if eqnType is None: raise ValueError("You did not provide data for eqnType.")
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if c is None: raise ValueError("You did not provide data for the coefficients.")
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if eqnType==IncompressibleData.INCOMPRESSIBLE_POLYNOMIAL:
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return np.polynomial.polynomial.polyval2d(x-xbase, y-ybase, c)
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elif eqnType==IncompressibleData.INCOMPRESSIBLE_POLYOFFSET:
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#if y!=0.0: raise ValueError("This is 1D only, use x not y.")
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return IncompressibleData.basePolyOffset(c, x) # offset included in coeffs
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elif eqnType==IncompressibleData.INCOMPRESSIBLE_EXPONENTIAL:
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#if y!=0.0: raise ValueError("This is 1D only, use x not y.")
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return IncompressibleData.baseExponential(c, x)
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elif eqnType==IncompressibleData.INCOMPRESSIBLE_LOGEXPONENTIAL:
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#if y!=0.0: raise ValueError("This is 1D only, use x not y.")
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return IncompressibleData.baseLogexponential(c, x)
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elif eqnType==IncompressibleData.INCOMPRESSIBLE_EXPPOLYNOMIAL:
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return np.exp(np.polynomial.polynomial.polyval2d(x-xbase, y-ybase, c))
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else:
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raise ValueError("Unknown function: {0}.".format(eqnType))
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@staticmethod
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def baseExponential(co, x):
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r,c,coeffs = IncompressibleFitter.shapeArray(co)
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@@ -76,7 +76,7 @@ class IncompressibleData(object):
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raise ValueError("You have to provide a 3,1 matrix of coefficients, not ({0},{1}).".format(r,c))
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coeffs_tmp = np.array(coeffs.flat)
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return np.exp(np.clip( (coeffs_tmp[0]/ ( x+coeffs_tmp[1] ) - coeffs_tmp[2]),IncompressibleData.minLog,IncompressibleData.maxLog))
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@staticmethod
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def baseLogexponential(co, x):
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r,c,coeffs = IncompressibleFitter.shapeArray(co)
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@@ -93,36 +93,36 @@ class IncompressibleData(object):
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offset = coeffs[0][0]
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coeffs = np.array(coeffs.flat)[1:]
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return np.polynomial.polynomial.polyval(x-offset, coeffs)
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### Base functions that handle the custom data type, just a place holder to show the structure.
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def baseFunction(self, x, y=0.0, xbase=0.0, ybase=0.0, c=None):
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if c==None: c = self.coeffs
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if c is None: c = self.coeffs
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return self.baseFunc(x, y, xbase, ybase, self.type, c)
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def fitCoeffs(self, xbase, ybase, x=None, y=None):
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if (x!=None and self.xData!=None and not IncompressibleFitter.allClose(x, self.xData)) \
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or (x==None and self.xData==None): raise ValueError("I do not know which x-value you would like to use. Define either x or self.xData.")
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if (y!=None and self.yData!=None and not IncompressibleFitter.allClose(y, self.yData)) \
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or (y==None and self.yData==None): raise ValueError("I do not know which y-value you would like to use. Define either y or self.yData.")
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if x==None and self.xData!=None: x=self.xData
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if y==None and self.yData!=None: y=self.yData
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if (not x is None and not self.xData is None and not IncompressibleFitter.allClose(x, self.xData)) \
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or (x is None and self.xData is None): raise ValueError("I do not know which x-value you would like to use. Define either x or self.xData.")
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if (not y is None and not self.yData is None and not IncompressibleFitter.allClose(y, self.yData)) \
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or (y is None and self.yData is None): raise ValueError("I do not know which y-value you would like to use. Define either y or self.yData.")
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if x is None and not self.xData is None: x=self.xData
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if y is None and not self.yData is None: y=self.yData
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#res = None
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#r2 = None
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res,sErr = IncompressibleFitter.fitter(x=x, y=y, z=self.data, \
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xbase=xbase, ybase=ybase, \
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eqnType=self.type, \
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coeffs=self.coeffs, DEBUG=self.DEBUG)
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bestCoeffs = np.copy(res)
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bestType = self.type
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bestsErr = np.copy(sErr)
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bestRMS = np.sqrt(np.square(bestsErr).mean()).sum()
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count = 0
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while bestRMS>0.03 and count<2:
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#if self.DEBUG: print("Poor solution found, trying once more with more coefficients.")
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@@ -134,7 +134,7 @@ class IncompressibleData(object):
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xbase=xbase, ybase=ybase, \
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eqnType=self.type, \
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coeffs=self.coeffs, DEBUG=self.DEBUG)
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elif self.type==IncompressibleData.INCOMPRESSIBLE_LOGEXPONENTIAL and self.data.size>10:
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if self.DEBUG: print("Poor solution found with log exponential, trying once more with exponential polynomial.")
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self.type=IncompressibleData.INCOMPRESSIBLE_EXPPOLYNOMIAL
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@@ -143,7 +143,7 @@ class IncompressibleData(object):
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xbase=xbase, ybase=ybase, \
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eqnType=self.type, \
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coeffs=self.coeffs, DEBUG=self.DEBUG)
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# elif self.type==IncompressibleData.INCOMPRESSIBLE_EXPPOLYNOMIAL:
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# if self.DEBUG: print("Poor solution found with exponential polynomial, trying once more with normal polynomial.")
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# self.type=IncompressibleData.INCOMPRESSIBLE_POLYNOMIAL
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@@ -159,53 +159,53 @@ class IncompressibleData(object):
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bestType = self.type
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bestsErr = np.copy(sErr)
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bestRMS = RMS
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count += 1
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if bestCoeffs==None:
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if bestCoeffs is None:
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if self.DEBUG: print("There was a fitting error, no solution found.")
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elif IncompressibleFitter.allClose(bestCoeffs, self.coeffs):
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if self.DEBUG: print("Coefficients did not change.")
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else:
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if self.DEBUG: print("Best fit for: {0}".format(bestType))
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self.coeffs = bestCoeffs
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self.type = bestType
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self.type = bestType
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self.sErr = bestsErr
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#if self.DEBUG: print("Fitting statistics:")
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#SSE = np.square(self.sErr).sum() # Sum of squares due to error
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#SST = ((zData-zData.mean())**2).sum()
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#R2 = 1-(ssErr/ssTot )
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def setxData(self, xData):
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if self.xData==None:
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if self.xData is None:
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self.xData = xData
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else:
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if self.DEBUG: print("Cannot update xData, value is set already.")
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else:
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if self.DEBUG: print("Cannot update xData, value is set already.")
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def setyData(self, yData):
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if self.yData==None:
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if self.yData is None:
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self.yData = yData
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else:
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if self.DEBUG: print("Cannot update yData, value is set already.")
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else:
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if self.DEBUG: print("Cannot update yData, value is set already.")
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def setxyData(self, xData, yData):
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self.setxData(xData)
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self.setyData(yData)
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def toJSON(self):
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j = {}
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try:
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j['coeffs'] = self.coeffs.tolist()
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except:
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j['coeffs'] = 'null'
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j['type'] = self.type
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return j
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def fromJSON(self, j):
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try:
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self.coeffs = np.array(j['coeffs'])
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@@ -213,22 +213,22 @@ class IncompressibleData(object):
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except:
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self.coeffs = None
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self.type = IncompressibleData.INCOMPRESSIBLE_NOT_SET
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return
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class IncompressibleFitter(object):
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@staticmethod
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def allClose(a,b):
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if np.array(a).shape==np.array(b).shape:
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return np.allclose(a, b)
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else: return False
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@staticmethod
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def shapeArray(array, axs=0):
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"""
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A function that promotes a 1D array to 2D and
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A function that promotes a 1D array to 2D and
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also returns the columns and rows.
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1D vectors are interpreted as column vectors.
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"""
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@@ -254,14 +254,14 @@ class IncompressibleFitter(object):
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print(array)
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raise ValueError("You have to provide a 1D-vector or a 2D-matrix.")
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return (r,c,np.reshape(array,(r,c)))
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@staticmethod
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def fitter(x=None, y=None, z=None, \
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xbase=0.0, ybase=0.0, \
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eqnType=None, \
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coeffs=None, DEBUG=False):
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""" The entry point to the fitting routines
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:param x : a 1D array in x direction or 2D with one column, most likely temperature
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:param y : a 1D array in y direction or 2D with one row, most likely cocentration
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:param z : a 2D array of data, rows = len(x[:,0]) and cols = len(y[0])
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@@ -270,46 +270,46 @@ class IncompressibleFitter(object):
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:param eqnType : an instance of IncompressibleData.INCOMPRESSIBLE_ ...
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:param coeffs : the initial guess and shape (!) for the desired coefficients, can be zeros
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:param DEBUG : message to display
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:returns : None if failed or coeffs filled with the right values
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:returns : None if failed or coeffs filled with the right values
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A function that selects the correct equations and
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fits coefficients. Some functions require a start
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guess for the coefficients to work properly.
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"""
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if x==None: raise ValueError("You did not provide data for the x-values.")
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if y==None: raise ValueError("You did not provide data for the y-values.")
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if z==None: raise ValueError("You did not provide data for the z-values.")
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if xbase==None: raise ValueError("You did not provide data for xbase.")
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if ybase==None: raise ValueError("You did not provide data for ybase.")
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if eqnType==None: raise ValueError("You did not provide data for eqnType.")
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if coeffs==None: raise ValueError("You did not provide data for the coefficients.")
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if DEBUG==None: raise ValueError("You did not provide data for DEBUG.")
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if x is None: raise ValueError("You did not provide data for the x-values.")
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if y is None: raise ValueError("You did not provide data for the y-values.")
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if z is None: raise ValueError("You did not provide data for the z-values.")
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if xbase is None: raise ValueError("You did not provide data for xbase.")
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if ybase is None: raise ValueError("You did not provide data for ybase.")
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if eqnType is None: raise ValueError("You did not provide data for eqnType.")
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if coeffs is None: raise ValueError("You did not provide data for the coefficients.")
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if DEBUG is None: raise ValueError("You did not provide data for DEBUG.")
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zr,zc,_ = IncompressibleFitter.shapeArray(z)
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xr,xc,x = IncompressibleFitter.shapeArray(x)
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yr,yc,y = IncompressibleFitter.shapeArray(y, axs=1)
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if DEBUG: print("Data : ({0},{1})".format(zr,zc))
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if DEBUG: print("x-axis : ({0},{1})".format(xr,xc))
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if DEBUG: print("y-axis : ({0},{1})".format(yr,yc))
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if zr==1 and zc==1: #
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if zr==1 and zc==1: #
|
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if DEBUG: print("Data no set, we cannot fit the coefficients")
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return None,None
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if (xc!=1): raise ValueError("The first input has to be a 2D array with one column.")
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if (yr!=1): raise ValueError("The second input has to be a 2D array with one row.")
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if (xr!=zr): raise ValueError("First independent vector and result vector have to have the same number of rows, {0} is not {1}.".format(xr,zr))
|
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if (yc!=zc): raise ValueError("Second independent vector and result vector have to have the same number of columns, {0} is not {1}.".format(yc,zc))
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if DEBUG: print("Coefficients before fitting: \n{0}".format(coeffs))
|
||||
|
||||
|
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# Polynomial fitting works for both 1D and 2D functions
|
||||
if eqnType==IncompressibleData.INCOMPRESSIBLE_POLYNOMIAL or eqnType==IncompressibleData.INCOMPRESSIBLE_EXPPOLYNOMIAL:
|
||||
|
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cr,cc,_ = IncompressibleFitter.shapeArray(coeffs)
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if DEBUG: print("Coefficients: ({0},{1})".format(cr,cc))
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if (xr==1 and xc==1 and cr>1):
|
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@@ -321,16 +321,16 @@ class IncompressibleFitter(object):
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||||
coeffs = coeffs.T[0]
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coeffs = coeffs.reshape((cr,1))
|
||||
cr,cc,_ = IncompressibleFitter.shapeArray(coeffs)
|
||||
|
||||
|
||||
if DEBUG: print("polynomial detected, fitting {0}".format(eqnType))
|
||||
if cr==1 and cc==1:
|
||||
if cr==1 and cc==1:
|
||||
if DEBUG: print("No coefficients left to fit, aborting procedure.")
|
||||
coeffs = np.array([[0.0]])
|
||||
return coeffs, None
|
||||
if (xr<cr):
|
||||
return coeffs, None
|
||||
if (xr<cr):
|
||||
if DEBUG: print("Less data points than coefficients in first dimension ({0} < {1}), reducing coefficient matrix.".format(xr,cr))
|
||||
coeffs = coeffs[:xr,:]
|
||||
if (yc<cc):
|
||||
if (yc<cc):
|
||||
if DEBUG: print("Less data points than coefficients in second dimension ({0} < {1}), reducing coefficient matrix.".format(yc,cc))
|
||||
coeffs = coeffs[:,:yc]
|
||||
cr,cc,_ = IncompressibleFitter.shapeArray(coeffs)
|
||||
@@ -345,18 +345,18 @@ class IncompressibleFitter(object):
|
||||
if DEBUG: print("Sum of squared errors: {0}".format(np.square(sErr).sum()))
|
||||
if DEBUG: print("Root mean squared errors: {0}".format(np.sqrt(np.square(sErr).mean()).sum()))
|
||||
return coeffs,sErr
|
||||
|
||||
|
||||
|
||||
|
||||
# Select if 1D or 2D fitting
|
||||
if yc==1 or xr==1: # 1D fitting, only one input
|
||||
if DEBUG: print("1D function detected.")
|
||||
if yc==1:
|
||||
if yc==1:
|
||||
if DEBUG: print("Fitting {0} in x-direction.".format(eqnType))
|
||||
coeffs,sErr = IncompressibleFitter.getCoeffsIterative1D(x, z, eqnType=eqnType, coeffs=coeffs, DEBUG=DEBUG)
|
||||
elif xr==1:
|
||||
elif xr==1:
|
||||
if DEBUG: print("Fitting {0} in y-direction.".format(eqnType))
|
||||
coeffs,sErr = IncompressibleFitter.getCoeffsIterative1D(y, z, eqnType=eqnType, coeffs=coeffs, DEBUG=DEBUG)
|
||||
else: raise ValueError("Unknown error in matrix shapes.")
|
||||
else: raise ValueError("Unknown error in matrix shapes.")
|
||||
if DEBUG: print("Coefficients after fitting: \n{0}".format(coeffs))
|
||||
if DEBUG: print("Standard deviation: {0}".format(np.nanstd(sErr)))
|
||||
if DEBUG: print("Sum of squared errors: {0}".format(np.square(sErr).sum()))
|
||||
@@ -365,13 +365,13 @@ class IncompressibleFitter(object):
|
||||
|
||||
elif yc>1: # 2D fitting
|
||||
raise ValueError("There are no other 2D fitting functions than polynomials, cannot use {0}.".format(eqnType))
|
||||
|
||||
else:
|
||||
raise ValueError("Unknown function.")
|
||||
|
||||
|
||||
else:
|
||||
raise ValueError("Unknown function.")
|
||||
|
||||
|
||||
# def getCoeffs1d(self, x, z, order):
|
||||
# if (len(x)<order+1):
|
||||
# if (len(x)<order+1):
|
||||
# raise ValueError("You have only {0} elements and try to fit {1} coefficients, please reduce the order.".format(len(x),order+1))
|
||||
# A = np.vander(x,order+1)[:,::-1]
|
||||
# #Anew = np.dot(A.T,A)
|
||||
@@ -379,17 +379,17 @@ class IncompressibleFitter(object):
|
||||
# #coeffs = np.linalg.solve(Anew, znew)
|
||||
# coeffs, resids, rank, singulars = np.linalg.lstsq(A, z)
|
||||
# return np.reshape(coeffs, (len(x),1))
|
||||
|
||||
|
||||
@staticmethod
|
||||
def getCoeffs2d(x_in, y_in, z_in, x_order, y_order, DEBUG=False):
|
||||
|
||||
if x_in==None: raise ValueError("You did not provide data for the x-values.")
|
||||
if y_in==None: raise ValueError("You did not provide data for the y-values.")
|
||||
if z_in==None: raise ValueError("You did not provide data for the z-values.")
|
||||
if x_order==None: raise ValueError("You did not provide data for x_order.")
|
||||
if y_order==None: raise ValueError("You did not provide data for y_order.")
|
||||
if DEBUG==None: raise ValueError("You did not provide data for DEBUG.")
|
||||
|
||||
|
||||
if x_in is None: raise ValueError("You did not provide data for the x-values.")
|
||||
if y_in is None: raise ValueError("You did not provide data for the y-values.")
|
||||
if z_in is None: raise ValueError("You did not provide data for the z-values.")
|
||||
if x_order is None: raise ValueError("You did not provide data for x_order.")
|
||||
if y_order is None: raise ValueError("You did not provide data for y_order.")
|
||||
if DEBUG is None: raise ValueError("You did not provide data for DEBUG.")
|
||||
|
||||
x_order += 1
|
||||
y_order += 1
|
||||
#To avoid overfitting, we only use the upper left triangle of the coefficient matrix
|
||||
@@ -397,105 +397,105 @@ class IncompressibleFitter(object):
|
||||
y_exp = range(y_order)
|
||||
limit = max(x_order,y_order)
|
||||
xy_exp = []
|
||||
# Construct the upper left triangle of coefficients
|
||||
# Construct the upper left triangle of coefficients
|
||||
for i in x_exp:
|
||||
for j in y_exp:
|
||||
if(i+j<limit): xy_exp.append((i,j))
|
||||
|
||||
# Construct input pairs
|
||||
|
||||
# Construct input pairs
|
||||
xx, yy = np.meshgrid(x_in,y_in,indexing='ij')
|
||||
xx = np.array(xx.flat)
|
||||
yy = np.array(yy.flat)
|
||||
zz = np.array(z_in.flat)
|
||||
|
||||
|
||||
# TODO: Check for rows with only nan values
|
||||
x_num = len(x_in)
|
||||
y_num = len(y_in)
|
||||
|
||||
y_num = len(y_in)
|
||||
|
||||
cols = len(xy_exp)
|
||||
eqns = x_num * y_num
|
||||
#if (eqns<cols):
|
||||
# raise ValueError("You have only {0} equations and try to fit {1} coefficients, please reduce the order.".format(eqns,cols))
|
||||
# raise ValueError("You have only {0} equations and try to fit {1} coefficients, please reduce the order.".format(eqns,cols))
|
||||
if (x_num<x_order):
|
||||
raise ValueError("You have only {0} x-entries and try to fit {1} x-coefficients, please reduce the x_order.".format(x_num,x_order))
|
||||
if (y_num<y_order):
|
||||
raise ValueError("You have only {0} y-entries and try to fit {1} y-coefficients, please reduce the y_order.".format(y_num,y_order))
|
||||
|
||||
|
||||
# Build the functional matrix
|
||||
A = np.zeros((eqns,cols))
|
||||
for i in range(eqns): # row loop
|
||||
for j, (xj,yj) in enumerate(xy_exp): # makes columns
|
||||
A[i][j] = xx[i]**xj * yy[i]**yj
|
||||
|
||||
|
||||
# Remove np.nan elements
|
||||
mask = np.isfinite(zz)
|
||||
A = A[mask]
|
||||
xx = xx[mask]
|
||||
yy = yy[mask]
|
||||
zz = zz[mask]
|
||||
|
||||
|
||||
if (len(A) < cols):
|
||||
raise ValueError("Your matrix has only {0} valid rows and you try to fit {1} coefficients, please reduce the order.".format(len(A),cols))
|
||||
|
||||
|
||||
coeffs, resids, rank, singulars = np.linalg.lstsq(A, zz)
|
||||
if DEBUG: print("Linear algebra solver returned:")
|
||||
if DEBUG: print(coeffs)
|
||||
if DEBUG: print(resids)
|
||||
if DEBUG: print(rank)
|
||||
if DEBUG: print(singulars)
|
||||
|
||||
|
||||
#if resids.size>0:
|
||||
# r2 = 1 - resids / (zz.size * zz.var())
|
||||
#else:
|
||||
# r2 = 0
|
||||
#print("\n r2 2d: ",r2.shape,r2,"\n")
|
||||
|
||||
|
||||
#Rearrange coefficients to a matrix shape
|
||||
C = np.zeros((x_order,y_order))
|
||||
for i, (xi,yi) in enumerate(xy_exp): # makes columns
|
||||
C[xi][yi] = coeffs[i]
|
||||
|
||||
|
||||
sErr = zz - np.polynomial.polynomial.polyval2d(xx, yy, C)
|
||||
return C, sErr
|
||||
|
||||
|
||||
@staticmethod
|
||||
def getCoeffsIterative1D(x_in, z_in, eqnType, coeffs, DEBUG=False):
|
||||
|
||||
if x_in==None: raise ValueError("You did not provide data for the x-values.")
|
||||
if z_in==None: raise ValueError("You did not provide data for the z-values.")
|
||||
if eqnType==None: raise ValueError("You did not provide data for eqnType.")
|
||||
if coeffs==None: raise ValueError("You did not provide data for the coefficients.")
|
||||
if DEBUG==None: raise ValueError("You did not provide data for DEBUG.")
|
||||
|
||||
sErr = None
|
||||
|
||||
|
||||
if x_in is None: raise ValueError("You did not provide data for the x-values.")
|
||||
if z_in is None: raise ValueError("You did not provide data for the z-values.")
|
||||
if eqnType is None: raise ValueError("You did not provide data for eqnType.")
|
||||
if coeffs is None: raise ValueError("You did not provide data for the coefficients.")
|
||||
if DEBUG is None: raise ValueError("You did not provide data for DEBUG.")
|
||||
|
||||
sErr = None
|
||||
|
||||
#fit = "Powell" # use Powell's algorithm
|
||||
#fit = "BFGS" # use Broyden-Fletcher-Goldfarb-Shanno
|
||||
#fit = "LMA" # use the Levenberg-Marquardt algorithm from curve_fit
|
||||
#fit = "LMA" # use the Levenberg-Marquardt algorithm from curve_fit
|
||||
fit = ["LMA","Powell","BFGS"] # First try LMA, use others as fall-back
|
||||
|
||||
|
||||
# make sure that we use other routines for polynomials
|
||||
if (eqnType==IncompressibleData.INCOMPRESSIBLE_POLYNOMIAL) or \
|
||||
(eqnType==IncompressibleData.INCOMPRESSIBLE_EXPPOLYNOMIAL) :
|
||||
raise ValueError("Please use the specific polynomial functions, they are much better.")
|
||||
|
||||
|
||||
expLog = False
|
||||
# Fitting the logarithm of z_in?
|
||||
if (eqnType==IncompressibleData.INCOMPRESSIBLE_EXPONENTIAL or eqnType==IncompressibleData.INCOMPRESSIBLE_LOGEXPONENTIAL):
|
||||
expLog = True
|
||||
|
||||
|
||||
xData = np.array(x_in.flat)
|
||||
if expLog: zData = np.log(z_in.flat)
|
||||
else: zData = np.array(z_in.flat)
|
||||
|
||||
|
||||
# Remove np.nan elements
|
||||
mask = np.isfinite(zData)
|
||||
xData = xData[mask]
|
||||
zData = zData[mask]
|
||||
|
||||
# The residual function
|
||||
|
||||
# The residual function
|
||||
def fun(coefficients,xArray,yArray):
|
||||
"""
|
||||
"""
|
||||
This function takes the coefficient array and
|
||||
x and y data. It evaluates the function and returns
|
||||
the sum of the squared residuals if yArray is not
|
||||
@@ -504,24 +504,24 @@ class IncompressibleFitter(object):
|
||||
# No offset and no Tbase etc for 1D functions!
|
||||
calculated = IncompressibleData.baseFunc(xArray, y=0.0, xbase=0.0, ybase=0.0, eqnType=eqnType, c=coefficients)
|
||||
if expLog: calculated = np.log(calculated)
|
||||
if yArray==None: return calculated
|
||||
if yArray is None: return calculated
|
||||
data = yArray
|
||||
res = np.sum(np.square(calculated-data))
|
||||
res = np.sum(np.square(calculated-data))
|
||||
return res
|
||||
|
||||
|
||||
# Loop through the list of algorithms with basic settings to keep track of our efforts
|
||||
success = False
|
||||
counter = 0
|
||||
tolerance = 1e-16
|
||||
while (not success):
|
||||
algorithm = fit[counter]
|
||||
#fit = "LMA" # use the Levenberg-Marquardt algorithm from curve_fit
|
||||
if algorithm=="LMA":
|
||||
|
||||
#fit = "LMA" # use the Levenberg-Marquardt algorithm from curve_fit
|
||||
if algorithm=="LMA":
|
||||
|
||||
def func(xVector, *coefficients):
|
||||
return fun(np.array(coefficients), xVector, None)
|
||||
#return self.baseFunction(xVector, 0.0, 0.0, 0.0, np.array(coefficients)) #np.array([self._PropsFit(coefficients,xName,T=Ti) for Ti in T])
|
||||
|
||||
|
||||
try:
|
||||
#print func(xData, coeffs_start)
|
||||
# Do the actual fitting
|
||||
@@ -543,19 +543,19 @@ class IncompressibleFitter(object):
|
||||
else:
|
||||
if DEBUG: print("Fit failed for {0}.".format(algorithm))
|
||||
if DEBUG: sys.stdout.flush()
|
||||
success = False
|
||||
|
||||
success = False
|
||||
|
||||
except RuntimeError as e:
|
||||
if DEBUG: print("Exception using "+algorithm+": "+str(e))
|
||||
if DEBUG: sys.stdout.flush()
|
||||
success = False
|
||||
|
||||
|
||||
#fit = "MIN" # use a home-made minimisation with Powell and Broyden-Fletcher-Goldfarb-Shanno
|
||||
elif algorithm=="Powell" or algorithm=="BFGS":
|
||||
|
||||
|
||||
arguments = (xData,zData)
|
||||
#options = {'maxiter': 1e2, 'maxfev': 1e5}
|
||||
|
||||
|
||||
try:
|
||||
res = minimize(fun, coeffs, method=algorithm, args=arguments, tol=tolerance)
|
||||
if res.success:
|
||||
@@ -566,7 +566,7 @@ class IncompressibleFitter(object):
|
||||
#ssErr = (res['fvec']**2).sum()
|
||||
#ssTot = ((zData-zData.mean())**2).sum()
|
||||
#r2 = 1-(ssErr/ssTot )
|
||||
#print("\n r2 : ",r2.shape,r2,algorithm,"\n")
|
||||
#print("\n r2 : ",r2.shape,r2,algorithm,"\n")
|
||||
return res.x,sErr
|
||||
else:
|
||||
if DEBUG: print("Fit failed for {0}.".format(algorithm))
|
||||
@@ -580,7 +580,7 @@ class IncompressibleFitter(object):
|
||||
# Something went wrong, probably a typo in the algorithm selector
|
||||
else:
|
||||
raise (ValueError("Error: You used an unknown fit method."))
|
||||
|
||||
|
||||
if counter<len(fit)-1:
|
||||
#print("Fit did not succeed with {0}, reducing tolerance to {1}.".format(algorithm,tol))
|
||||
success = False
|
||||
@@ -589,14 +589,13 @@ class IncompressibleFitter(object):
|
||||
tolerance *= 1e2
|
||||
if DEBUG: print("Fit did not succeed, reducing tolerance to {0}.".format(tolerance))
|
||||
success = False
|
||||
counter = 0
|
||||
counter = 0
|
||||
else:
|
||||
if DEBUG: print("--------------------------------------------------------------")
|
||||
if DEBUG: print("Fit failed for {0}. ".format(fit))
|
||||
if DEBUG: print("--------------------------------------------------------------")
|
||||
return coeffs,1
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@@ -21,7 +21,7 @@ class SolutionData(object):
|
||||
def __init__(self):
|
||||
|
||||
|
||||
self.significantDigits = 10
|
||||
self.significantDigits = 7
|
||||
|
||||
self.name = None # Name of the current fluid
|
||||
self.description = None # Description of the current fluid
|
||||
@@ -146,7 +146,7 @@ class SolutionData(object):
|
||||
|
||||
def rho (self, T, p=0.0, x=0.0, c=None):
|
||||
if not self.checkTPX(T, p, x): return np.NAN
|
||||
if c==None:
|
||||
if c is None:
|
||||
c=self.density.coeffs
|
||||
if self.density.type==self.density.INCOMPRESSIBLE_POLYNOMIAL:
|
||||
return np.polynomial.polynomial.polyval2d(T-self.Tbase, x-self.xbase, c)
|
||||
@@ -154,7 +154,7 @@ class SolutionData(object):
|
||||
|
||||
def c (self, T, p=0.0, x=0.0, c=None):
|
||||
if not self.checkTPX(T, p, x): return np.NAN
|
||||
if c==None:
|
||||
if c is None:
|
||||
c = self.specific_heat.coeffs
|
||||
if self.specific_heat.type==self.specific_heat.INCOMPRESSIBLE_POLYNOMIAL:
|
||||
return np.polynomial.polynomial.polyval2d(T-self.Tbase, x-self.xbase, c)
|
||||
@@ -168,7 +168,7 @@ class SolutionData(object):
|
||||
|
||||
def u (self, T, p=0.0, x=0.0, c=None):
|
||||
if not self.checkTPX(T, p, x): return np.NAN
|
||||
if c==None:
|
||||
if c is None:
|
||||
c = self.specific_heat.coeffs
|
||||
if self.specific_heat.type==self.specific_heat.INCOMPRESSIBLE_POLYNOMIAL:
|
||||
c_tmp = np.polynomial.polynomial.polyint(c)
|
||||
@@ -192,7 +192,7 @@ class SolutionData(object):
|
||||
return self.saturation_pressure.baseFunction(T, x, self.Tbase, self.xbase, c=c)
|
||||
|
||||
def Tfreeze(self, T, p=0.0, x=0.0, c=None):
|
||||
if c==None:
|
||||
if c is None:
|
||||
c = self.T_freeze.coeffs
|
||||
|
||||
if self.T_freeze.type==self.T_freeze.INCOMPRESSIBLE_POLYNOMIAL:
|
||||
@@ -295,6 +295,8 @@ class DigitalData(SolutionData):
|
||||
|
||||
def writeToFile(self, data, array):
|
||||
fullPath = self.getFile(data)
|
||||
if not os.path.exists(os.path.dirname(fullPath)):
|
||||
os.makedirs(os.path.dirname(fullPath))
|
||||
stdFmt = "%1.{0}e".format(int(self.significantDigits-1))
|
||||
return np.savetxt(fullPath, array, fmt=stdFmt)
|
||||
|
||||
@@ -327,7 +329,7 @@ class DigitalData(SolutionData):
|
||||
z = None
|
||||
|
||||
# First we try to read the file
|
||||
if (dataID!=None and os.path.isfile(self.getFile(dataID))): # File found
|
||||
if (not dataID is None and os.path.isfile(self.getFile(dataID))): # File found
|
||||
fileArray = self.getFromFile(dataID)
|
||||
x = np.copy(fileArray[1:,0 ])
|
||||
y = np.copy(fileArray[0 ,1:])
|
||||
@@ -377,7 +379,7 @@ class DigitalData(SolutionData):
|
||||
z = np.zeros( (len(x)+1,len(y)+1) )
|
||||
r,c = z.shape
|
||||
|
||||
if func==None: raise ValueError("Need a function to update the data file.")
|
||||
if func is None: raise ValueError("Need a function to update the data file.")
|
||||
|
||||
for i in range(r-1):
|
||||
for j in range(c-1):
|
||||
@@ -386,7 +388,7 @@ class DigitalData(SolutionData):
|
||||
z[1:,0] = x
|
||||
z[0,1:] = y
|
||||
|
||||
if dataID!=None:
|
||||
if not dataID is None:
|
||||
self.writeToFile(dataID, z)
|
||||
else:
|
||||
if DEBUG: print("Not updating data file, dataID is missing.")
|
||||
|
||||
@@ -1,10 +1,10 @@
|
||||
"""
|
||||
Some fluids that are part of CoolProp 4 or another
|
||||
software and that have to be reimplemented for
|
||||
CoolProp 5.
|
||||
Some fluids that are part of CoolProp 4 or another
|
||||
software and that have to be reimplemented for
|
||||
CoolProp 5.
|
||||
|
||||
The most famous one is probably the aqueous Lithium
|
||||
bromide solution. This one is going to be transferred
|
||||
The most famous one is probably the aqueous Lithium
|
||||
bromide solution. This one is going to be transferred
|
||||
from the equations from the publication to the standard
|
||||
parameter form.
|
||||
|
||||
@@ -14,31 +14,31 @@ import numpy as np
|
||||
from CPIncomp.DataObjects import DigitalData, PureData
|
||||
|
||||
class LiBrData(DigitalData):
|
||||
"""
|
||||
"""
|
||||
Lithium Bromide solution from CoolProp 4
|
||||
Source: Patek et al.
|
||||
"""
|
||||
"""
|
||||
def __init__(self):
|
||||
DigitalData.__init__(self)
|
||||
|
||||
DigitalData.__init__(self)
|
||||
|
||||
import CoolProp.CoolProp as CP
|
||||
self.name = "LiBr"
|
||||
self.description = "Lithium-Bromide solution from Patek2006"
|
||||
self.reference = "Patek2006"
|
||||
|
||||
|
||||
self.Tmin = 273.00
|
||||
self.Tmax = 500.00
|
||||
self.xmax = 0.75
|
||||
self.xmin = 0.00
|
||||
self.xid = self.ifrac_mass
|
||||
self.TminPsat = self.Tmin
|
||||
|
||||
|
||||
self.temperature.data = self.getTrange()
|
||||
self.concentration.data = self.getxrange()
|
||||
|
||||
|
||||
# data = [self.density.data,self.specific_heat.data,self.saturation_pressure.data]
|
||||
# keys = ["D", "C", "Psat"]
|
||||
#
|
||||
#
|
||||
# import os
|
||||
# for i in range(len(keys)):
|
||||
# def func(T,x):
|
||||
@@ -46,23 +46,30 @@ class LiBrData(DigitalData):
|
||||
# #if os.path.isfile(self.getFile(key)): os.remove(self.getFile(key))
|
||||
# data[i] = self.getArray(func,keys[i])
|
||||
|
||||
key = 'D'
|
||||
def funcD(T,x):
|
||||
return CP.PropsSI(key,'T',T,'P',1e8,self.name+"-{0:.4f}%".format(x*100.0))
|
||||
self.density.xData,self.density.yData,self.density.data = self.getArray(dataID=key, func=funcD, x_in=self.temperature.data, y_in=self.concentration.data,DEBUG=self.density.DEBUG)
|
||||
self.density.source = self.density.SOURCE_EQUATION
|
||||
|
||||
key = 'C'
|
||||
def funcC(T,x):
|
||||
return CP.PropsSI(key,'T',T,'P',1e8,self.name+"-{0:.4f}%".format(x*100.0))
|
||||
self.specific_heat.xData,self.specific_heat.yData,self.specific_heat.data = self.getArray(dataID=key, func=funcC, x_in=self.temperature.data, y_in=self.concentration.data,DEBUG=self.specific_heat.DEBUG)
|
||||
self.specific_heat.source = self.specific_heat.SOURCE_EQUATION
|
||||
|
||||
key = 'Psat'
|
||||
def funcP(T,x):
|
||||
return CP.PropsSI(key,'T',T,'P',1e8,self.name+"-{0:.4f}%".format(x*100.0))
|
||||
self.saturation_pressure.xData,self.saturation_pressure.yData,self.saturation_pressure.data = self.getArray(dataID=key, func=funcP, x_in=self.temperature.data, y_in=self.concentration.data,DEBUG=self.saturation_pressure.DEBUG)
|
||||
self.saturation_pressure.source = self.saturation_pressure.SOURCE_EQUATION
|
||||
try:
|
||||
key = 'D'
|
||||
def funcD(T,x):
|
||||
return CP.PropsSI(key,'T',T,'P',1e8,self.name+"-{0:.4f}%".format(x*100.0))
|
||||
self.density.xData,self.density.yData,self.density.data = self.getArray(dataID=key, func=funcD, x_in=self.temperature.data, y_in=self.concentration.data,DEBUG=self.density.DEBUG)
|
||||
self.density.source = self.density.SOURCE_EQUATION
|
||||
|
||||
key = 'C'
|
||||
def funcC(T,x):
|
||||
return CP.PropsSI(key,'T',T,'P',1e8,self.name+"-{0:.4f}%".format(x*100.0))
|
||||
self.specific_heat.xData,self.specific_heat.yData,self.specific_heat.data = self.getArray(dataID=key, func=funcC, x_in=self.temperature.data, y_in=self.concentration.data,DEBUG=self.specific_heat.DEBUG)
|
||||
self.specific_heat.source = self.specific_heat.SOURCE_EQUATION
|
||||
|
||||
key = 'Psat'
|
||||
def funcP(T,x):
|
||||
return CP.PropsSI(key,'T',T,'P',1e8,self.name+"-{0:.4f}%".format(x*100.0))
|
||||
self.saturation_pressure.xData,self.saturation_pressure.yData,self.saturation_pressure.data = self.getArray(dataID=key, func=funcP, x_in=self.temperature.data, y_in=self.concentration.data,DEBUG=self.saturation_pressure.DEBUG)
|
||||
self.saturation_pressure.source = self.saturation_pressure.SOURCE_EQUATION
|
||||
|
||||
except:
|
||||
self.density.source = self.density.SOURCE_NOT_SET
|
||||
self.specific_heat.source = self.specific_heat.SOURCE_NOT_SET
|
||||
self.saturation_pressure.source = self.saturation_pressure.SOURCE_NOT_SET
|
||||
|
||||
|
||||
|
||||
|
||||
@@ -70,7 +77,7 @@ class HyCool20(PureData,DigitalData):
|
||||
def __init__(self):
|
||||
DigitalData.__init__(self)
|
||||
PureData.__init__(self)
|
||||
|
||||
|
||||
self.name = "HY20"
|
||||
self.description = "HYCOOL 20, Potassium formate"
|
||||
self.reference = "Hydro Chemicals"
|
||||
@@ -88,7 +95,7 @@ class HyCool20(PureData,DigitalData):
|
||||
self.specific_heat.source = self.specific_heat.SOURCE_COEFFS
|
||||
self.specific_heat.type = self.specific_heat.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.specific_heat.coeffs = np.array([[2.955],[0.0023]])*1e3
|
||||
|
||||
|
||||
key = 'Cond'
|
||||
def funcCond(T,x):
|
||||
T = (T-self.Tbase)
|
||||
@@ -97,7 +104,7 @@ class HyCool20(PureData,DigitalData):
|
||||
self.conductivity.xData,self.conductivity.yData,self.conductivity.data = self.getArray(dataID=key,func=funcCond,x_in=self.temperature.data,y_in=self.concentration.data,DEBUG=self.conductivity.DEBUG)
|
||||
self.conductivity.source = self.conductivity.SOURCE_EQUATION
|
||||
funcCond = None
|
||||
|
||||
|
||||
key = 'Mu'
|
||||
def funcMu(T,x):
|
||||
T = (T-self.Tbase)
|
||||
@@ -112,7 +119,7 @@ class HyCool30(PureData,DigitalData):
|
||||
def __init__(self):
|
||||
DigitalData.__init__(self)
|
||||
PureData.__init__(self)
|
||||
|
||||
|
||||
self.name = "HY30"
|
||||
self.description = "HYCOOL 30, Potassium formate"
|
||||
self.reference = "Hydro Chemicals"
|
||||
@@ -122,7 +129,7 @@ class HyCool30(PureData,DigitalData):
|
||||
self.TminPsat = self.Tmax
|
||||
self.Tbase = 0.00 + 273.15
|
||||
self.temperature.data = self.getTrange()
|
||||
|
||||
|
||||
self.density.source = self.density.SOURCE_COEFFS
|
||||
self.density.type = self.density.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.density.coeffs = np.array([[1257.5],[-0.475350]])
|
||||
@@ -130,7 +137,7 @@ class HyCool30(PureData,DigitalData):
|
||||
self.specific_heat.source = self.specific_heat.SOURCE_COEFFS
|
||||
self.specific_heat.type = self.specific_heat.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.specific_heat.coeffs = np.array([[2.783],[0.0023]])*1e3
|
||||
|
||||
|
||||
key = 'Cond'
|
||||
def funcCond(T,x):
|
||||
T = (T-self.Tbase)
|
||||
@@ -139,7 +146,7 @@ class HyCool30(PureData,DigitalData):
|
||||
self.conductivity.xData,self.conductivity.yData,self.conductivity.data = self.getArray(dataID=key,func=funcCond,x_in=self.temperature.data,y_in=self.concentration.data,DEBUG=self.conductivity.DEBUG)
|
||||
self.conductivity.source = self.conductivity.SOURCE_EQUATION
|
||||
funcCond = None
|
||||
|
||||
|
||||
key = 'Mu'
|
||||
def funcMu(T,x):
|
||||
T = (T-self.Tbase)
|
||||
@@ -154,7 +161,7 @@ class HyCool40(PureData,DigitalData):
|
||||
def __init__(self):
|
||||
DigitalData.__init__(self)
|
||||
PureData.__init__(self)
|
||||
|
||||
|
||||
self.name = "HY40"
|
||||
self.description = "HYCOOL 40, Potassium formate"
|
||||
self.reference = "Hydro Chemicals"
|
||||
@@ -172,7 +179,7 @@ class HyCool40(PureData,DigitalData):
|
||||
self.specific_heat.source = self.specific_heat.SOURCE_COEFFS
|
||||
self.specific_heat.type = self.specific_heat.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.specific_heat.coeffs = np.array([[2.646],[0.0023]])*1e3
|
||||
|
||||
|
||||
self.conductivity.source = self.conductivity.SOURCE_COEFFS
|
||||
self.conductivity.type = self.conductivity.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.conductivity.coeffs = np.array([[0.4826],[0.001730]])
|
||||
@@ -190,7 +197,7 @@ class HyCool45(PureData,DigitalData):
|
||||
def __init__(self):
|
||||
DigitalData.__init__(self)
|
||||
PureData.__init__(self)
|
||||
|
||||
|
||||
self.name = "HY45"
|
||||
self.description = "HYCOOL 45, Potassium formate"
|
||||
self.reference = "Hydro Chemicals"
|
||||
@@ -200,7 +207,7 @@ class HyCool45(PureData,DigitalData):
|
||||
self.TminPsat = self.Tmax
|
||||
self.Tbase = 0.00 + 273.15
|
||||
self.temperature.data = self.getTrange()
|
||||
|
||||
|
||||
self.density.source = self.density.SOURCE_COEFFS
|
||||
self.density.type = self.density.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.density.coeffs = np.array([[1328.7],[-0.530754]])
|
||||
@@ -208,7 +215,7 @@ class HyCool45(PureData,DigitalData):
|
||||
self.specific_heat.source = self.specific_heat.SOURCE_COEFFS
|
||||
self.specific_heat.type = self.specific_heat.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.specific_heat.coeffs = np.array([[2.578],[0.0023]])*1e3
|
||||
|
||||
|
||||
self.conductivity.source = self.conductivity.SOURCE_COEFFS
|
||||
self.conductivity.type = self.conductivity.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.conductivity.coeffs = np.array([[0.4750],[0.001674]])
|
||||
@@ -226,7 +233,7 @@ class HyCool50(PureData,DigitalData):
|
||||
def __init__(self):
|
||||
DigitalData.__init__(self)
|
||||
PureData.__init__(self)
|
||||
|
||||
|
||||
self.name = "HY50"
|
||||
self.description = "HYCOOL 50, Potassium formate"
|
||||
self.reference = "Hydro Chemicals"
|
||||
@@ -236,7 +243,7 @@ class HyCool50(PureData,DigitalData):
|
||||
self.TminPsat = self.Tmax
|
||||
self.Tbase = 0.00 + 273.15
|
||||
self.temperature.data = self.getTrange()
|
||||
|
||||
|
||||
self.density.source = self.density.SOURCE_COEFFS
|
||||
self.density.type = self.density.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.density.coeffs = np.array([[1359.0],[-0.552300]])
|
||||
@@ -244,7 +251,7 @@ class HyCool50(PureData,DigitalData):
|
||||
self.specific_heat.source = self.specific_heat.SOURCE_COEFFS
|
||||
self.specific_heat.type = self.specific_heat.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.specific_heat.coeffs = np.array([[2.498],[0.0023]])*1e3
|
||||
|
||||
|
||||
self.conductivity.source = self.conductivity.SOURCE_COEFFS
|
||||
self.conductivity.type = self.conductivity.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.conductivity.coeffs = np.array([[0.4660],[0.001610]])
|
||||
@@ -254,7 +261,7 @@ class HyCool50(PureData,DigitalData):
|
||||
T = (T-self.Tbase)
|
||||
res = 0.0491*np.exp(581.12/(T+129.05))
|
||||
if T > -10: return res + 0.2
|
||||
else: return res
|
||||
else: return res
|
||||
self.viscosity.xData,self.viscosity.yData,self.viscosity.data = self.getArray(dataID=key,func=funcMu,x_in=self.temperature.data,y_in=self.concentration.data,DEBUG=self.viscosity.DEBUG)
|
||||
self.viscosity.source = self.viscosity.SOURCE_EQUATION
|
||||
funcMu = None
|
||||
|
||||
@@ -1,35 +1,36 @@
|
||||
from __future__ import division, print_function
|
||||
import numpy as np
|
||||
from BaseObjects import IncompressibleData
|
||||
from DataObjects import DigitalData, PureData
|
||||
from DataObjects import DigitalData, PureData
|
||||
import os, sys
|
||||
from scipy import interpolate
|
||||
from scipy import interpolate
|
||||
from CPIncomp.BaseObjects import IncompressibleFitter
|
||||
from scipy.io.matlab.miobase import arr_dtype_number
|
||||
|
||||
class SecCoolSolutionData(DigitalData):
|
||||
"""
|
||||
"""
|
||||
A base class that can be fed with a fluid ID from SecCool
|
||||
to read data files sitting in data/SecCool/xMass and
|
||||
data/SecCool/xVolume.
|
||||
"""
|
||||
to read data files sitting in data/SecCool/xMass and
|
||||
data/SecCool/xVolume.
|
||||
"""
|
||||
def __init__(self,sFile=None,sFolder=None,name=None,desc=None,ref='SecCool software'):
|
||||
DigitalData.__init__(self)
|
||||
self.allowNegativeData = False
|
||||
|
||||
|
||||
if sFile == None: raise ValueError("File name cannot be empty.")
|
||||
if sFolder == None: raise ValueError("Folder name cannot be empty.")
|
||||
if name == None: raise ValueError("Fluid name cannot be empty.")
|
||||
if desc == None: raise ValueError("Description cannot be empty.")
|
||||
|
||||
|
||||
self.sFile = sFile
|
||||
self.sFolder = sFolder
|
||||
|
||||
|
||||
self.name = name
|
||||
self.description = desc
|
||||
self.reference = ref
|
||||
|
||||
|
||||
self.temperature.data,self.concentration.data,self.density.data = self.getArray(dataID='Rho')
|
||||
|
||||
|
||||
self.Tmax = np.max(self.temperature.data)
|
||||
self.Tmin = np.min(self.temperature.data)
|
||||
self.xmax = np.max(self.concentration.data)
|
||||
@@ -41,10 +42,10 @@ class SecCoolSolutionData(DigitalData):
|
||||
elif self.sFolder=='xPure':
|
||||
self.xid = self.ifrac_pure
|
||||
else:
|
||||
raise ValueError("Unknown folder type specified.")
|
||||
raise ValueError("Unknown folder type specified.")
|
||||
self.TminPsat = self.Tmax
|
||||
|
||||
|
||||
|
||||
|
||||
try:
|
||||
self.density.xData,self.density.yData,self.density.data = self.getArray(dataID="Rho")
|
||||
while np.max(self.density.data[np.isfinite(self.density.data)])<500: # Expect values around 1e3
|
||||
@@ -53,7 +54,7 @@ class SecCoolSolutionData(DigitalData):
|
||||
except:
|
||||
if self.density.DEBUG: print("Could not load {}".format(self.getFile("Rho")))
|
||||
pass
|
||||
|
||||
|
||||
try:
|
||||
self.specific_heat.xData,self.specific_heat.yData,self.specific_heat.data = self.getArray(dataID='Cp')
|
||||
while np.max(self.specific_heat.data[np.isfinite(self.specific_heat.data)])<1000: # Expect values around 2e3
|
||||
@@ -62,16 +63,16 @@ class SecCoolSolutionData(DigitalData):
|
||||
except:
|
||||
if self.density.DEBUG: print("Could not load {}".format(self.getFile("Cp")))
|
||||
pass
|
||||
|
||||
|
||||
try:
|
||||
self.conductivity.xData,self.conductivity.yData,self.conductivity.data = self.getArray(dataID='Cond')
|
||||
while np.max(self.conductivity.data[np.isfinite(self.conductivity.data)])>2: # Expect value below 1
|
||||
self.conductivity.data *= 0.1
|
||||
self.conductivity.data *= 0.1
|
||||
self.conductivity.source = self.conductivity.SOURCE_DATA
|
||||
except:
|
||||
if self.density.DEBUG: print("Could not load {}".format(self.getFile("Cond")))
|
||||
pass
|
||||
|
||||
|
||||
try:
|
||||
self.viscosity.xData,self.viscosity.yData,self.viscosity.data = self.getArray(dataID='Mu')
|
||||
while np.max(self.viscosity.data[np.isfinite(self.viscosity.data)])>0.2: # Expect value below 0.1
|
||||
@@ -80,12 +81,12 @@ class SecCoolSolutionData(DigitalData):
|
||||
except:
|
||||
if self.density.DEBUG: print("Could not load {}".format(self.getFile("Mu")))
|
||||
pass
|
||||
|
||||
|
||||
|
||||
|
||||
# def interp(self, tOld, xOld, dataNew):
|
||||
# tCur = self.temperature.data
|
||||
# xCur = self.concentration.data
|
||||
#
|
||||
# xCur = self.concentration.data
|
||||
#
|
||||
# data = None
|
||||
# if len(tCur)==1: # 1d in concentration
|
||||
# f = interpolate.interp1d(xCur, dataNew.flat)#, kind='cubic')
|
||||
@@ -97,11 +98,11 @@ class SecCoolSolutionData(DigitalData):
|
||||
# f = interpolate.interp2d(xCur, tCur, dataNew)#, kind='cubic')
|
||||
# data = f(xOld,tOld)
|
||||
# return data
|
||||
|
||||
|
||||
# def interp(self, tOld, xOld, dataNew):
|
||||
# tCur = self.temperature.data
|
||||
# xCur = self.concentration.data
|
||||
#
|
||||
# xCur = self.concentration.data
|
||||
#
|
||||
# data = None
|
||||
# if len(tCur)==1: # 1d in concentration
|
||||
# f = interpolate.InterpolatedUnivariateSpline(xCur, dataNew.flat, k=1)
|
||||
@@ -115,20 +116,20 @@ class SecCoolSolutionData(DigitalData):
|
||||
# data = f(xOld,tOld)
|
||||
# return data
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
def fitFluid(self):
|
||||
|
||||
|
||||
if self.Tbase==None:
|
||||
self.Tbase = (self.Tmin + self.Tmax) / 2.0
|
||||
if self.xbase==None:
|
||||
self.xbase = (self.xmin + self.xmax) / 2.0
|
||||
|
||||
|
||||
std_coeffs = np.zeros((4,6))
|
||||
errList = (ValueError, AttributeError, TypeError, RuntimeError)
|
||||
|
||||
|
||||
try:
|
||||
self.density.coeffs = np.copy(std_coeffs)
|
||||
self.density.type = self.density.INCOMPRESSIBLE_POLYNOMIAL
|
||||
@@ -136,15 +137,15 @@ class SecCoolSolutionData(DigitalData):
|
||||
except errList as ve:
|
||||
if self.density.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'density',ve))
|
||||
pass
|
||||
|
||||
|
||||
try:
|
||||
self.specific_heat.coeffs = np.copy(std_coeffs)
|
||||
self.specific_heat.type = self.specific_heat.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.specific_heat.fitCoeffs(self.Tbase,self.xbase)
|
||||
self.specific_heat.fitCoeffs(self.Tbase,self.xbase)
|
||||
except errList as ve:
|
||||
if self.specific_heat.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'specific heat',ve))
|
||||
pass
|
||||
|
||||
pass
|
||||
|
||||
try:
|
||||
self.conductivity.coeffs = np.copy(std_coeffs)
|
||||
self.conductivity.type = self.conductivity.INCOMPRESSIBLE_POLYNOMIAL
|
||||
@@ -152,7 +153,7 @@ class SecCoolSolutionData(DigitalData):
|
||||
except errList as ve:
|
||||
if self.conductivity.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'conductivity',ve))
|
||||
pass
|
||||
|
||||
|
||||
# try:
|
||||
# self.viscosity.coeffs = np.copy(std_coeffs)
|
||||
# self.viscosity.type = self.viscosity.INCOMPRESSIBLE_EXPPOLYNOMIAL
|
||||
@@ -160,14 +161,14 @@ class SecCoolSolutionData(DigitalData):
|
||||
# except errList as ve:
|
||||
# if self.viscosity.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'viscosity',ve))
|
||||
# pass
|
||||
|
||||
|
||||
try:
|
||||
tried = False
|
||||
if len(self.viscosity.yData)==1:# and np.isfinite(fluidObject.viscosity.data).sum()<10:
|
||||
self.viscosity.coeffs = np.array([+7e+2, -6e+1, +1e+1])
|
||||
self.viscosity.type = IncompressibleData.INCOMPRESSIBLE_EXPONENTIAL
|
||||
self.viscosity.fitCoeffs(self.Tbase,self.xbase)
|
||||
if self.viscosity.coeffs==None or IncompressibleFitter.allClose(self.viscosity.coeffs, np.array([+7e+2, -6e+1, +1e+1])): # Fit failed
|
||||
if self.viscosity.coeffs is None or IncompressibleFitter.allClose(self.viscosity.coeffs, np.array([+7e+2, -6e+1, +1e+1])): # Fit failed
|
||||
tried = True
|
||||
if len(self.viscosity.yData)>1 or tried:
|
||||
self.viscosity.coeffs = np.copy(std_coeffs)#np.zeros(np.round(np.array(std_coeffs.shape) * 1.5))
|
||||
@@ -176,18 +177,18 @@ class SecCoolSolutionData(DigitalData):
|
||||
except errList as ve:
|
||||
if self.viscosity.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'viscosity',ve))
|
||||
pass
|
||||
|
||||
|
||||
|
||||
|
||||
# reset data for getArray and read special files
|
||||
if self.xid!=self.ifrac_pure and self.xid!=self.ifrac_undefined:
|
||||
allowNegativeData_org = self.allowNegativeData
|
||||
self.allowNegativeData = True
|
||||
|
||||
|
||||
try:
|
||||
x,_,z = self.getArray(dataID='TFreeze')
|
||||
self.T_freeze.yData = (x - 273.15) / 100.0
|
||||
self.T_freeze.xData = [0.0]
|
||||
if np.min(z)<150: z += 273.15
|
||||
if np.min(z)<150: z += 273.15
|
||||
self.T_freeze.data = z.T
|
||||
try:
|
||||
self.T_freeze.source = self.T_freeze.SOURCE_DATA
|
||||
@@ -197,7 +198,7 @@ class SecCoolSolutionData(DigitalData):
|
||||
#if np.isfinite(self.T_freeze.data).sum()<10:
|
||||
# self.T_freeze.coeffs = np.array([+7e+6, +6e+4, +1e+1])
|
||||
# self.T_freeze.type = self.T_freeze.INCOMPRESSIBLE_EXPONENTIAL
|
||||
#else:
|
||||
#else:
|
||||
# self.T_freeze.coeffs = np.zeros(np.round(np.array(std_coeffs.shape) * 2))
|
||||
# self.T_freeze.type = self.T_freeze.INCOMPRESSIBLE_EXPPOLYNOMIAL
|
||||
#self.T_freeze.fitCoeffs(self.Tbase,self.xbase)
|
||||
@@ -211,10 +212,10 @@ class SecCoolSolutionData(DigitalData):
|
||||
# reset data for getArray again
|
||||
self.allowNegativeData = allowNegativeData_org
|
||||
try:
|
||||
x,_,z = self.getArray(dataID='Vol2Mass')
|
||||
x,_,z = self.getArray(dataID='Vol2Mass')
|
||||
massData = z[:,0] /100.0
|
||||
volData = (x - 273.15) /100.0
|
||||
|
||||
|
||||
if self.xid==self.ifrac_volume:
|
||||
_,_,self.mass2input.data = IncompressibleFitter.shapeArray(volData,axs=1)
|
||||
self.mass2input.xData = [0.0]
|
||||
@@ -245,14 +246,19 @@ class SecCoolSolutionData(DigitalData):
|
||||
if self.mass2input.DEBUG or self.volume2input.DEBUG: print("{0}: Could not load {1} data: {2}".format(self.name,"Vol2Mass",ve))
|
||||
pass
|
||||
|
||||
|
||||
|
||||
# Redefine some functions to avoid data loss
|
||||
def getFile(self, data):
|
||||
return os.path.join(os.path.dirname(__file__), 'data','SecCool', self.sFolder, self.sFile+"_"+data+".txt")
|
||||
|
||||
|
||||
|
||||
|
||||
def getFromFile(self, data):
|
||||
fullPath = self.getFile(data)
|
||||
# TODO: improve this case
|
||||
if not os.path.isfile(fullPath):
|
||||
arr = np.empty((1,1))
|
||||
arr[:] = np.NAN
|
||||
return arr
|
||||
r,c,res = IncompressibleFitter.shapeArray(np.loadtxt(fullPath,dtype=type('string')))
|
||||
# numbers = res.astype(np.float)
|
||||
numbers = np.zeros((r,c))
|
||||
@@ -270,24 +276,24 @@ class SecCoolSolutionData(DigitalData):
|
||||
if i==0: nu = 0.0 # Dummy for tables without concentration (TFreeze and Vol2Mass)
|
||||
pass
|
||||
numbers[i,j] = nu
|
||||
if numbers[1,0]>numbers[-1,0]:
|
||||
if numbers[1,0]>numbers[-1,0]:
|
||||
numbers[1:,:] = numbers[1:,:][::-1,:]
|
||||
if numbers[0,1]>numbers[0,-1]:
|
||||
if numbers[0,1]>numbers[0,-1]:
|
||||
numbers[:,1:] = numbers[:,1:][:,::-1]
|
||||
return numbers
|
||||
|
||||
return numbers
|
||||
|
||||
def writeToFile(self, data, array):
|
||||
raise ValueError("You should not overwrite the SecCool data.")
|
||||
|
||||
|
||||
@staticmethod
|
||||
def factory():
|
||||
"""
|
||||
A static method that returns a list of SecCool
|
||||
solutions. Coefficients are fitted by calling
|
||||
fitFluid and then the objects should be ready
|
||||
fitFluid and then the objects should be ready
|
||||
to be written to JSON.
|
||||
"""
|
||||
print("Loading SecCool fluids: ", end="")
|
||||
print("Loading SecCool fluids: ", end="")
|
||||
sec = []
|
||||
sec += [SecCoolSolutionData(sFile='Antifrogen KF' ,sFolder='xVolume',name='AKF',desc='Antifrogen KF, Potassium Formate' ,ref='Clariant GmbH Jan. 2000, SecCool software')]
|
||||
print("{0}".format(sec[-1].name), end="")
|
||||
@@ -315,7 +321,7 @@ class SecCoolSolutionData(DigitalData):
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
sec += [SecCoolSolutionData(sFile='Zitrec M' ,sFolder='xVolume',name='ZM' ,desc='Zitrec M, Ethylene Glycol' ,ref='Arteco, SecCool software')]
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
|
||||
|
||||
sec += [SecCoolSolutionData(sFile='Melinder, Ammonia' ,sFolder='xMass',name='MAM2',desc='Melinder, Ammonia' ,ref='Melinder-BOOK-2010, SecCool software')]
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
sec += [SecCoolSolutionData(sFile='Melinder, Calcium Cloride' ,sFolder='xMass',name='MCA2',desc='Melinder, Calcium Chloride' ,ref='Melinder-BOOK-2010, SecCool software')]
|
||||
@@ -381,14 +387,14 @@ class SecCoolSolutionData(DigitalData):
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
sec += [SecCoolSolutionData(sFile='Dowtherm Q' ,sFolder='xPure',name='DowQ2',desc='Dowtherm Q, Diphenylethane/alkylated aromatics' ,ref='Dow Chemicals, SecCool software')]
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
|
||||
|
||||
sec += [SecCoolIceData(sFile='IceEA' ,sFolder='xMass',name='IceEA',desc='Ice slurry with Ethanol' ,ref='Danish Technological Institute, SecCool software')]
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
sec += [SecCoolIceData(sFile='IceNA' ,sFolder='xMass',name='IceNA',desc='Ice slurry with NaCl' ,ref='Danish Technological Institute, SecCool software')]
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
sec += [SecCoolIceData(sFile='IcePG' ,sFolder='xMass',name='IcePG',desc='Ice slurry with Propylene Glycol' ,ref='Danish Technological Institute, SecCool software')]
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
|
||||
|
||||
sec += [ThermogenVP1869()]
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
sec += [Freezium()]
|
||||
@@ -403,43 +409,43 @@ class SecCoolSolutionData(DigitalData):
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
sec += [AS55()]
|
||||
print(", {0}".format(sec[-1].name), end="")
|
||||
|
||||
|
||||
print(" ... done")
|
||||
|
||||
|
||||
return sec
|
||||
|
||||
|
||||
|
||||
class SecCoolIceData(SecCoolSolutionData):
|
||||
"""
|
||||
"""
|
||||
A base class that can be fed with a fluid ID from SecCool
|
||||
to read data files sitting in data/SecCool/xTables.
|
||||
"""
|
||||
"""
|
||||
def __init__(self,sFile=None,sFolder=None,name=None,desc=None,ref='Danish Technological Institute, SecCool software'):
|
||||
SecCoolSolutionData.__init__(self,sFile=sFile,sFolder=sFolder,name=name,desc=desc,ref=ref)
|
||||
|
||||
|
||||
#self.density.xData,self.density.yData,self.density.data = self.getArray(dataID="Rho")
|
||||
#self.density.source = self.density.SOURCE_DATA
|
||||
|
||||
|
||||
self.specific_heat.xData,self.specific_heat.yData,self.specific_heat.data = self.getArray(dataID='Hfusion')
|
||||
self.specific_heat.source = self.specific_heat.SOURCE_DATA
|
||||
|
||||
|
||||
#self.conductivity.xData,self.conductivity.yData,self.conductivity.data = self.getArray(dataID='Cond')
|
||||
#self.conductivity.source = self.conductivity.SOURCE_DATA
|
||||
|
||||
|
||||
#self.viscosity.xData,self.viscosity.yData,self.viscosity.data = self.getArray(dataID='Mu')
|
||||
#self.viscosity.source = self.viscosity.SOURCE_DATA
|
||||
|
||||
|
||||
|
||||
|
||||
# def fitFluid(self):
|
||||
# if self.Tbase==None:
|
||||
# self.Tbase = (self.Tmin + self.Tmax) / 2.0
|
||||
# if self.xbase==None:
|
||||
# self.xbase = (self.xmin + self.xmax) / 2.0
|
||||
#
|
||||
#
|
||||
# std_coeffs = np.zeros((4,6))
|
||||
# errList = (ValueError, AttributeError, TypeError, RuntimeError)
|
||||
#
|
||||
#
|
||||
# try:
|
||||
# self.density.coeffs = np.copy(std_coeffs)
|
||||
# self.density.type = self.density.INCOMPRESSIBLE_POLYNOMIAL
|
||||
@@ -447,15 +453,15 @@ class SecCoolIceData(SecCoolSolutionData):
|
||||
# except errList as ve:
|
||||
# if self.density.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'density',ve))
|
||||
# pass
|
||||
#
|
||||
#
|
||||
# try:
|
||||
# self.specific_heat.coeffs = np.copy(std_coeffs)
|
||||
# self.specific_heat.type = self.specific_heat.INCOMPRESSIBLE_POLYNOMIAL
|
||||
# self.specific_heat.fitCoeffs(self.Tbase,self.xbase)
|
||||
# self.specific_heat.fitCoeffs(self.Tbase,self.xbase)
|
||||
# except errList as ve:
|
||||
# if self.specific_heat.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'specific heat',ve))
|
||||
# pass
|
||||
#
|
||||
# pass
|
||||
#
|
||||
# try:
|
||||
# self.conductivity.coeffs = np.copy(std_coeffs)
|
||||
# self.conductivity.type = self.conductivity.INCOMPRESSIBLE_POLYNOMIAL
|
||||
@@ -463,7 +469,7 @@ class SecCoolIceData(SecCoolSolutionData):
|
||||
# except errList as ve:
|
||||
# if self.conductivity.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'conductivity',ve))
|
||||
# pass
|
||||
#
|
||||
#
|
||||
# try:
|
||||
# self.viscosity.coeffs = np.copy(std_coeffs)
|
||||
# self.viscosity.type = self.viscosity.INCOMPRESSIBLE_EXPPOLYNOMIAL
|
||||
@@ -472,12 +478,12 @@ class SecCoolIceData(SecCoolSolutionData):
|
||||
# if self.viscosity.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'viscosity',ve))
|
||||
# pass
|
||||
|
||||
|
||||
|
||||
# Redefine some functions to avoid data loss
|
||||
def getFile(self, data):
|
||||
return os.path.join(os.path.dirname(__file__), 'data','SecCool','xTables', self.sFolder, self.sFile+"_"+data+".csv")
|
||||
|
||||
|
||||
|
||||
|
||||
def getFromFile(self, data):
|
||||
fullPath = self.getFile(data)
|
||||
content = np.loadtxt(fullPath,dtype=type('string'),delimiter=",",skiprows=3)
|
||||
@@ -497,35 +503,35 @@ class SecCoolIceData(SecCoolSolutionData):
|
||||
if i==0: nu = 0.0 # Dummy for tables without concentration (TFreeze and Vol2Mass)
|
||||
pass
|
||||
numbers[i,j] = nu
|
||||
if numbers[1,0]>numbers[-1,0]:
|
||||
if numbers[1,0]>numbers[-1,0]:
|
||||
numbers[1:,:] = numbers[1:,:][::-1,:]
|
||||
if numbers[0,1]>numbers[0,-1]:
|
||||
if numbers[0,1]>numbers[0,-1]:
|
||||
numbers[:,1:] = numbers[:,1:][:,::-1]
|
||||
return numbers
|
||||
return numbers
|
||||
|
||||
|
||||
|
||||
class ThermogenVP1869(PureData,DigitalData):
|
||||
"""
|
||||
"""
|
||||
Source: SecCool Software
|
||||
"""
|
||||
def __init__(self):
|
||||
"""
|
||||
def __init__(self):
|
||||
DigitalData.__init__(self)
|
||||
PureData.__init__(self)
|
||||
PureData.__init__(self)
|
||||
self.name = "TVP1869"
|
||||
self.description = "Thermogen VP 1869"
|
||||
self.reference = "Hoechst, SecCool software"
|
||||
|
||||
|
||||
self.Tmax = 20 + 273.15
|
||||
self.Tmin = -80 + 273.15
|
||||
self.TminPsat = self.Tmax
|
||||
|
||||
|
||||
self.Tbase = 0.00 + 273.15
|
||||
|
||||
|
||||
self.density.source = self.density.SOURCE_COEFFS
|
||||
self.density.type = self.density.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.density.coeffs = np.array([[945.5454545],[-1.054545455]])
|
||||
|
||||
|
||||
self.specific_heat.source = self.specific_heat.SOURCE_COEFFS
|
||||
self.specific_heat.type = self.specific_heat.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.specific_heat.coeffs = np.array([[2.322218182],[0.003843636]])*1000
|
||||
@@ -533,19 +539,19 @@ class ThermogenVP1869(PureData,DigitalData):
|
||||
self.conductivity.source = self.conductivity.SOURCE_COEFFS
|
||||
self.conductivity.type = self.conductivity.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.conductivity.coeffs = np.array([[0.15],[-0.000154545]])
|
||||
|
||||
|
||||
self.temperature.data = self.getTrange()
|
||||
self.concentration.data = np.array([0.0]) # mass fraction
|
||||
|
||||
|
||||
def fitFluid(self):
|
||||
|
||||
|
||||
def fitFluid(self):
|
||||
key = 'Mu'
|
||||
def funcMu(T,x):
|
||||
T = T-self.Tbase
|
||||
return (341.3688975+T*(-0.713408301+0.017723992*T))/(1.0+T*(0.034502393+T*(0.000401319+1.57288E-06*T)))*1e-2*1e-3
|
||||
|
||||
self.viscosity.xData,self.viscosity.yData,self.viscosity.data = self.getArray(dataID=key,func=funcMu,x_in=self.temperature.data,y_in=self.concentration.data)
|
||||
|
||||
|
||||
try:
|
||||
self.viscosity.source = self.viscosity.SOURCE_EQUATION
|
||||
self.viscosity.type = self.viscosity.INCOMPRESSIBLE_EXPPOLYNOMIAL
|
||||
@@ -553,31 +559,31 @@ class ThermogenVP1869(PureData,DigitalData):
|
||||
self.viscosity.fitCoeffs(self.Tbase,self.xbase)
|
||||
except (ValueError, AttributeError, TypeError, RuntimeError) as e:
|
||||
if self.viscosity.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'viscosity',e))
|
||||
pass
|
||||
pass
|
||||
|
||||
|
||||
|
||||
|
||||
class Freezium(DigitalData):
|
||||
def __init__(self):
|
||||
DigitalData.__init__(self)
|
||||
|
||||
DigitalData.__init__(self)
|
||||
|
||||
self.name = "FRE"
|
||||
self.description = "Freezium, Potassium Formate"
|
||||
self.reference = "Kemira Chemicals OY, SecCool software"
|
||||
|
||||
|
||||
self.Tmin = -40 + 273.00
|
||||
self.Tmax = +40 + 273.00
|
||||
self.xmax = 0.50
|
||||
self.xmin = 0.19
|
||||
self.xid = self.ifrac_mass
|
||||
self.TminPsat = self.Tmax
|
||||
|
||||
|
||||
self.Tbase = 273.15
|
||||
self.xbase = 0.0
|
||||
|
||||
|
||||
self.temperature.data = self.getTrange()
|
||||
self.concentration.data = self.getxrange()
|
||||
|
||||
|
||||
self.density.source = self.density.SOURCE_COEFFS
|
||||
self.density.type = self.density.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.density.coeffs = np.array([[1015,462,406],[-40/100.0,0.0,0.0]])
|
||||
@@ -585,17 +591,17 @@ class Freezium(DigitalData):
|
||||
self.conductivity.source = self.conductivity.SOURCE_COEFFS
|
||||
self.conductivity.type = self.conductivity.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.conductivity.coeffs = np.array([[0.55,-0.15],[0.18/100.0,-0.16/100.0]])
|
||||
|
||||
|
||||
|
||||
|
||||
def fitFluid(self):
|
||||
|
||||
|
||||
key = 'Cp'
|
||||
def funcCp(T,x):
|
||||
T = (T-self.Tbase)/100.0
|
||||
return (4.15*np.exp(-0.9*x)+0.63*T*x)*1000.0
|
||||
|
||||
self.specific_heat.xData,self.specific_heat.yData,self.specific_heat.data = self.getArray(dataID=key,func=funcCp,x_in=self.temperature.data,y_in=self.concentration.data,DEBUG=self.specific_heat.DEBUG)
|
||||
|
||||
|
||||
try:
|
||||
self.specific_heat.source = IncompressibleData.SOURCE_EQUATION
|
||||
self.specific_heat.type = IncompressibleData.INCOMPRESSIBLE_POLYNOMIAL
|
||||
@@ -603,9 +609,9 @@ class Freezium(DigitalData):
|
||||
self.specific_heat.fitCoeffs(self.Tbase,self.xbase)
|
||||
except (ValueError, AttributeError, TypeError, RuntimeError) as e:
|
||||
if self.specific_heat.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'specific heat',e))
|
||||
pass
|
||||
pass
|
||||
funcCp = None
|
||||
|
||||
|
||||
|
||||
key = 'Mu'
|
||||
def funcMu(T,x):
|
||||
@@ -614,7 +620,7 @@ class Freezium(DigitalData):
|
||||
return self.rho(T, 1e6, x)*np.power(10,result)*1E-3;
|
||||
|
||||
self.viscosity.xData,self.viscosity.yData,self.viscosity.data = self.getArray(dataID=key,func=funcMu,x_in=self.temperature.data,y_in=self.concentration.data,DEBUG=self.viscosity.DEBUG)
|
||||
|
||||
|
||||
try:
|
||||
self.viscosity.source = IncompressibleData.SOURCE_EQUATION
|
||||
self.viscosity.type = IncompressibleData.INCOMPRESSIBLE_EXPPOLYNOMIAL
|
||||
@@ -624,8 +630,8 @@ class Freezium(DigitalData):
|
||||
if self.viscosity.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'viscosity',e))
|
||||
pass
|
||||
funcMu = None
|
||||
|
||||
|
||||
|
||||
|
||||
# Changed the coefficient order for TFreeze
|
||||
key = 'Tfreeze'
|
||||
def funcTf(T,x):
|
||||
@@ -641,20 +647,20 @@ class Freezium(DigitalData):
|
||||
i = 2.41704396074865E-08
|
||||
j = 4.314861246570078E-11
|
||||
return ((a+x*(c+x*(e+x*(g+i*x))))/(1+x*(b+x*(d+x*(f+x*(h+j*x)))))*100)+273.15
|
||||
|
||||
|
||||
self.T_freeze.xData,self.T_freeze.yData,self.T_freeze.data = self.getArray(dataID=key,func=funcTf,x_in=np.array([0.0]),y_in=self.concentration.data,DEBUG=self.T_freeze.DEBUG)
|
||||
try:
|
||||
try:
|
||||
self.T_freeze.coeffs = np.zeros((4,6))
|
||||
self.T_freeze.source = IncompressibleData.SOURCE_EQUATION
|
||||
self.T_freeze.type = IncompressibleData.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.T_freeze.fitCoeffs(self.Tbase,self.xbase)
|
||||
except (ValueError, AttributeError, TypeError, RuntimeError) as e:
|
||||
if self.T_freeze.DEBUG: print("{0}: Could not fit polynomial {1} coefficients: {2}".format(self.name,'T freeze',e))
|
||||
pass
|
||||
pass
|
||||
funcTf = None
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
class AS10(PureData,DigitalData):
|
||||
def __init__(self):
|
||||
@@ -717,7 +723,7 @@ class AS20(PureData,DigitalData):
|
||||
self.conductivity.source = self.conductivity.SOURCE_COEFFS
|
||||
self.conductivity.type = self.conductivity.INCOMPRESSIBLE_POLYNOMIAL
|
||||
self.conductivity.coeffs = np.array([[0.001342],[+ 0.480766]])[::-1]
|
||||
|
||||
|
||||
|
||||
def fitFluid(self):
|
||||
key = 'Mu'
|
||||
@@ -726,7 +732,7 @@ class AS20(PureData,DigitalData):
|
||||
return 2.43708721027941*np.exp(-0.0537593944541809*T) + 0.97244
|
||||
|
||||
self.viscosity.xData,self.viscosity.yData,self.viscosity.data = self.getArray(dataID=key,func=funcMu,x_in=self.temperature.data,y_in=self.concentration.data,DEBUG=self.viscosity.DEBUG)
|
||||
|
||||
|
||||
try:
|
||||
self.viscosity.source = self.viscosity.SOURCE_EQUATION
|
||||
self.viscosity.type = self.viscosity.INCOMPRESSIBLE_EXPPOLYNOMIAL
|
||||
@@ -774,7 +780,7 @@ class AS30(PureData,DigitalData):
|
||||
return 2.65653950695888*np.exp(-0.0598806339442954*T) + 1.30143
|
||||
|
||||
self.viscosity.xData,self.viscosity.yData,self.viscosity.data = self.getArray(dataID=key,func=funcMu,x_in=self.temperature.data,y_in=self.concentration.data,DEBUG=self.viscosity.DEBUG)
|
||||
|
||||
|
||||
try:
|
||||
self.viscosity.source = self.viscosity.SOURCE_EQUATION
|
||||
self.viscosity.type = self.viscosity.INCOMPRESSIBLE_EXPPOLYNOMIAL
|
||||
@@ -821,7 +827,7 @@ class AS40(PureData,DigitalData):
|
||||
return 0.714976365635003*np.exp(-0.100050525515385*T) + 4.38768154440393*np.exp(-0.0260039000649317*T)
|
||||
|
||||
self.viscosity.xData,self.viscosity.yData,self.viscosity.data = self.getArray(dataID=key,func=funcMu,x_in=self.temperature.data,y_in=self.concentration.data,DEBUG=self.viscosity.DEBUG)
|
||||
|
||||
|
||||
try:
|
||||
self.viscosity.source = self.viscosity.SOURCE_EQUATION
|
||||
self.viscosity.type = self.viscosity.INCOMPRESSIBLE_EXPPOLYNOMIAL
|
||||
@@ -869,7 +875,7 @@ class AS55(PureData,DigitalData):
|
||||
return 0.159583223482554*np.exp(-0.138097704125669*T) + 6.3176967296442*np.exp(-0.0380509974688477*T)
|
||||
|
||||
self.viscosity.xData,self.viscosity.yData,self.viscosity.data = self.getArray(dataID=key,func=funcMu,x_in=self.temperature.data,y_in=self.concentration.data,DEBUG=self.viscosity.DEBUG)
|
||||
|
||||
|
||||
try:
|
||||
self.viscosity.source = self.viscosity.SOURCE_EQUATION
|
||||
self.viscosity.type = self.viscosity.INCOMPRESSIBLE_EXPPOLYNOMIAL
|
||||
@@ -883,13 +889,13 @@ class AS55(PureData,DigitalData):
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@@ -1,7 +1,7 @@
|
||||
"""
|
||||
CPIncomp - Jorrit's collection of routines for fitting incompressible liquids
|
||||
=====
|
||||
|
||||
|
||||
readme.md - General instructions and copyright information / credits.
|
||||
|
||||
"""
|
||||
@@ -12,9 +12,9 @@ from CPIncomp.SecCoolFluids import SecCoolSolutionData
|
||||
|
||||
|
||||
def getBaseClassNames():
|
||||
"""
|
||||
Returns a list of names of the abstract base
|
||||
classes that should not be instantiated. Can
|
||||
"""
|
||||
Returns a list of names of the abstract base
|
||||
classes that should not be instantiated. Can
|
||||
be used to build an ignore list.
|
||||
"""
|
||||
ignList = []
|
||||
@@ -25,12 +25,12 @@ def getBaseClassNames():
|
||||
|
||||
|
||||
def getExampleNames(obj=False):
|
||||
"""
|
||||
Returns a list of names of the example fluid
|
||||
classes that should not be treated like the
|
||||
normal fluids. Can be used to build an ignore
|
||||
"""
|
||||
Returns a list of names of the example fluid
|
||||
classes that should not be treated like the
|
||||
normal fluids. Can be used to build an ignore
|
||||
list.
|
||||
Use the obj switch to return the objects instead
|
||||
Use the obj switch to return the objects instead
|
||||
of the names.
|
||||
"""
|
||||
ignList = getBaseClassNames()
|
||||
@@ -44,9 +44,9 @@ def getExampleNames(obj=False):
|
||||
|
||||
|
||||
def getIgnoreNames():
|
||||
"""
|
||||
Returns a list of names of classes that should
|
||||
not be treated like the normal fluids.
|
||||
"""
|
||||
Returns a list of names of classes that should
|
||||
not be treated like the normal fluids.
|
||||
"""
|
||||
ignList = []
|
||||
ignList += getBaseClassNames()
|
||||
@@ -56,10 +56,10 @@ def getIgnoreNames():
|
||||
|
||||
def getCoefficientFluids():
|
||||
"""
|
||||
Returns a list of CoefficientData objects, which
|
||||
Returns a list of CoefficientData objects, which
|
||||
already contain all coefficients. These objects
|
||||
can be written to JSON without further processing.
|
||||
"""
|
||||
can be written to JSON without further processing.
|
||||
"""
|
||||
classes = []
|
||||
ignList = getIgnoreNames()
|
||||
for name, obj in inspect.getmembers(CoefficientFluids):
|
||||
@@ -67,24 +67,24 @@ def getCoefficientFluids():
|
||||
#print(name)
|
||||
if not name in ignList: # Ignore the base classes
|
||||
classes.append(obj())
|
||||
return classes
|
||||
return classes
|
||||
|
||||
|
||||
def getDigitalFluids():
|
||||
"""
|
||||
Returns a list of DigitalData objects, which
|
||||
contain data for the fitting. These objects
|
||||
only hold the data and you still have to call
|
||||
the fitting routines.
|
||||
a) Data in these classes is based on equations
|
||||
Returns a list of DigitalData objects, which
|
||||
contain data for the fitting. These objects
|
||||
only hold the data and you still have to call
|
||||
the fitting routines.
|
||||
a) Data in these classes is based on equations
|
||||
that cannot be converted to the forms available
|
||||
in CoolProp.
|
||||
b) There are no equations available, but the
|
||||
fluid data can be accessed from python in the
|
||||
form of another library.
|
||||
b) There are no equations available, but the
|
||||
fluid data can be accessed from python in the
|
||||
form of another library.
|
||||
c) There are data files that contain the experimental
|
||||
data. The fit has to be done after laoding the fluids.
|
||||
"""
|
||||
"""
|
||||
classes = []
|
||||
ignList = getIgnoreNames()
|
||||
for name, obj in inspect.getmembers(DigitalFluids):
|
||||
@@ -92,18 +92,18 @@ def getDigitalFluids():
|
||||
#print(name)
|
||||
if not name in ignList: # Ignore the base classes
|
||||
classes.append(obj())
|
||||
return classes
|
||||
return classes
|
||||
|
||||
|
||||
def getMelinderFluids():
|
||||
"""
|
||||
Returns a list of CoefficientData objects, which
|
||||
Returns a list of CoefficientData objects, which
|
||||
already contain all coefficients. These objects
|
||||
can be written to JSON without further processing.
|
||||
All coefficients are taken from the same reference:
|
||||
"Properties of Secondary Working Fluids for Indirect Systems"
|
||||
written by Aake Melinder and published in 2010 by IIR
|
||||
"""
|
||||
written by Aake Melinder and published in 2010 by IIR
|
||||
"""
|
||||
classes = []
|
||||
ignList = getIgnoreNames()
|
||||
for name, obj in inspect.getmembers(MelinderFluids):
|
||||
@@ -111,16 +111,16 @@ def getMelinderFluids():
|
||||
#print(name)
|
||||
if not name in ignList: # Ignore the base classes
|
||||
classes.append(obj())
|
||||
return classes
|
||||
return classes
|
||||
|
||||
|
||||
def getPureFluids():
|
||||
"""
|
||||
Returns a list of SolutionData objects, which
|
||||
contain data for fitting pure fluids. These
|
||||
objects only hold the data and you still have
|
||||
Returns a list of SolutionData objects, which
|
||||
contain data for fitting pure fluids. These
|
||||
objects only hold the data and you still have
|
||||
to call the fitting routines.
|
||||
"""
|
||||
"""
|
||||
classes = []
|
||||
ignList = getIgnoreNames()
|
||||
for name, obj in inspect.getmembers(PureFluids):
|
||||
@@ -128,18 +128,18 @@ def getPureFluids():
|
||||
#print(name)
|
||||
if not name in ignList: # Ignore the base classes
|
||||
classes.append(obj())
|
||||
return classes
|
||||
return classes
|
||||
|
||||
|
||||
def getSecCoolFluids():
|
||||
"""
|
||||
Returns a list of DigitalData objects, which
|
||||
Returns a list of DigitalData objects, which
|
||||
contain data for the fits. All objects here
|
||||
implement the fitFluid() function, which can
|
||||
be called to set the coefficients before writing
|
||||
the JSON files.
|
||||
"""
|
||||
return SecCoolSolutionData.factory()
|
||||
"""
|
||||
return SecCoolSolutionData.factory()
|
||||
|
||||
|
||||
def get_version():
|
||||
|
||||
@@ -8,12 +8,14 @@ from __future__ import division, absolute_import, print_function
|
||||
import os
|
||||
from CPIncomp import getCoefficientFluids, getDigitalFluids, getMelinderFluids,\
|
||||
getPureFluids, getSecCoolFluids
|
||||
from CPIncomp.DataObjects import SolutionData
|
||||
from CPIncomp.BaseObjects import IncompressibleData
|
||||
import numpy as np
|
||||
|
||||
# See http://stackoverflow.com/questions/11347505/what-are-some-approaches-to-outputting-a-python-data-structure-to-restructuredte
|
||||
def make_table(grid):
|
||||
max_cols = [max(out) for out in map(list, zip(*[[len(item) for item in row] for row in grid]))]
|
||||
rst = table_div(max_cols, 1)
|
||||
|
||||
for i, row in enumerate(grid):
|
||||
header_flag = False
|
||||
if i == 0 or i == len(grid)-1: header_flag = True
|
||||
@@ -27,15 +29,20 @@ def table_div(max_cols, header_flag=1):
|
||||
style = "="
|
||||
else:
|
||||
style = "-"
|
||||
|
||||
for max_col in max_cols:
|
||||
out += max_col * style + " "
|
||||
|
||||
out += "\n"
|
||||
return out
|
||||
|
||||
def normalize_row(row, max_cols):
|
||||
r = ""
|
||||
for i, max_col in enumerate(max_cols):
|
||||
r += row[i] + (max_col - len(row[i]) + 1) * " "
|
||||
return r + "\n"
|
||||
|
||||
|
||||
def writeTextToFile(path,text):
|
||||
print("Writing to file: {0}".format(path))
|
||||
f = open(path, "w")
|
||||
f.write(text)
|
||||
f.close()
|
||||
@@ -44,21 +51,50 @@ def writeTextToFile(path,text):
|
||||
def writeTableToFile(path,table):
|
||||
return writeTextToFile(path, make_table(table))
|
||||
|
||||
def getReportLink(name):
|
||||
reportFile = os.path.join("report","{0}_fitreport.pdf".format(name))
|
||||
return d(name,reportFile)
|
||||
|
||||
def normalize_row(row, max_cols):
|
||||
r = ""
|
||||
for i, max_col in enumerate(max_cols):
|
||||
r += row[i] + (max_col - len(row[i]) + 1) * " "
|
||||
def checkForNumber(number):
|
||||
try:
|
||||
n = float(number)
|
||||
except:
|
||||
n = np.NAN
|
||||
pass
|
||||
return n
|
||||
|
||||
return r + "\n"
|
||||
def d(text,target):
|
||||
try:
|
||||
if os.path.isfile(target):
|
||||
link = ":download:`{0}<{1}>`".format(text,target)
|
||||
else:
|
||||
link = "{0}".format(text)
|
||||
except:
|
||||
link = "{0}".format(text)
|
||||
pass
|
||||
return link
|
||||
|
||||
def m(math):
|
||||
text = ":math:`{0}`".format(math)
|
||||
return text
|
||||
|
||||
def c(number):
|
||||
text = "{0:5.2f} deg C".format(checkForNumber(number)-273.15)
|
||||
return text
|
||||
|
||||
def x(number):
|
||||
text = "{0:3.2f}".format(checkForNumber(number))
|
||||
return text
|
||||
|
||||
|
||||
if __name__ == '__main__':
|
||||
|
||||
FLUID_INFO_FOLDER=os.path.join("..","..","Web","fluid_properties")
|
||||
FLUID_INFO_FOLDER=os.path.abspath(os.path.join("..","..","Web","fluid_properties"))
|
||||
|
||||
FLUID_INFO_INCOMP_LIST=os.path.join(FLUID_INFO_FOLDER,"Incompressibles_Fluids.txt")
|
||||
FLUID_INFO_MASS_LIST=os.path.join(FLUID_INFO_FOLDER,"mass-based-fluids.txt")
|
||||
FLUID_INFO_MOLE_LIST=os.path.join(FLUID_INFO_FOLDER,"mole-based-fluids.txt")
|
||||
FLUID_INFO_VOLU_LIST=os.path.join(FLUID_INFO_FOLDER,"volume-based-fluids.txt")
|
||||
FLUID_INFO_PURE_LIST=os.path.join(FLUID_INFO_FOLDER,"pure-fluids.txt")
|
||||
|
||||
|
||||
|
||||
@@ -75,11 +111,65 @@ if __name__ == '__main__':
|
||||
allObjs += pureFObjs[:]
|
||||
allObjs += secCoObjs[:]
|
||||
|
||||
testTable = []
|
||||
testTable.append(['Name', 'Description', 'Reference']) # Headline
|
||||
# Parse the objects and make lists according to the data sources
|
||||
dataSourceObjs = []
|
||||
equaSourceObjs = []
|
||||
coefSourceObjs = []
|
||||
unknSourceObjs = []
|
||||
|
||||
# Make other lists for pure solution fluids
|
||||
massBasedObjs = []
|
||||
moleBasedObjs = []
|
||||
voluBasedObjs = []
|
||||
pureBasedObjs = []
|
||||
unknBasedObjs = []
|
||||
|
||||
for fluid in allObjs:
|
||||
testTable.append([fluid.name, fluid.description, fluid.reference])
|
||||
|
||||
if fluid.density.source==IncompressibleData.SOURCE_DATA:
|
||||
dataSourceObjs += [fluid]
|
||||
elif fluid.density.source==IncompressibleData.SOURCE_EQUATION:
|
||||
equaSourceObjs += [fluid]
|
||||
elif fluid.density.source==IncompressibleData.SOURCE_COEFFS:
|
||||
coefSourceObjs += [fluid]
|
||||
else:
|
||||
unknSourceObjs += [fluid]
|
||||
|
||||
if fluid.xid==SolutionData.ifrac_mass:
|
||||
massBasedObjs += [fluid]
|
||||
elif fluid.xid==SolutionData.ifrac_mole:
|
||||
moleBasedObjs += [fluid]
|
||||
elif fluid.xid==SolutionData.ifrac_volume:
|
||||
voluBasedObjs += [fluid]
|
||||
elif fluid.xid==SolutionData.ifrac_pure:
|
||||
pureBasedObjs += [fluid]
|
||||
else:
|
||||
unknBasedObjs += [fluid]
|
||||
|
||||
# After all the list got populated, we can process the entries
|
||||
# and generate some tables
|
||||
#
|
||||
objLists = [pureBasedObjs,massBasedObjs,moleBasedObjs,voluBasedObjs]
|
||||
for i in range(len(objLists)):
|
||||
objLists[i] = sorted(objLists[i], key=lambda x: x.name)
|
||||
filLists = [FLUID_INFO_PURE_LIST,FLUID_INFO_MASS_LIST]
|
||||
filLists +=[FLUID_INFO_MOLE_LIST,FLUID_INFO_VOLU_LIST]
|
||||
#
|
||||
header = ['Name', 'Description', 'Reference', m('T_{min}'), m('T_{max}')]
|
||||
testTable = []
|
||||
testTable.append(header) # Headline
|
||||
for fluid in objLists[0]:
|
||||
testTable.append([getReportLink(fluid.name), fluid.description, fluid.reference, c(fluid.Tmin), c(fluid.Tmax)])
|
||||
writeTableToFile(filLists[0], testTable)
|
||||
#
|
||||
# Process solutions
|
||||
header.extend([m('x_{min}'), m('x_{max}')])
|
||||
|
||||
for i in range(1,len(objLists)):
|
||||
testTable = []
|
||||
testTable.append(header) # Headline
|
||||
for fluid in objLists[i]:
|
||||
testTable.append([getReportLink(fluid.name), fluid.description, fluid.reference, c(fluid.Tmin), c(fluid.Tmax), x(fluid.xmin), x(fluid.xmax)])
|
||||
writeTableToFile(filLists[i], testTable)
|
||||
|
||||
|
||||
writeTableToFile(FLUID_INFO_INCOMP_LIST, testTable)
|
||||
|
||||
@@ -4,18 +4,64 @@ from CPIncomp import getExampleNames, getPureFluids, getCoefficientFluids,\
|
||||
getDigitalFluids, getSecCoolFluids, getMelinderFluids
|
||||
import sys
|
||||
from CPIncomp.DataObjects import SolutionData
|
||||
import argparse
|
||||
import os
|
||||
import numpy as np
|
||||
|
||||
def getTime(path):
|
||||
if os.path.isfile(path):
|
||||
return os.path.getctime(path)
|
||||
else:
|
||||
return 0
|
||||
|
||||
def mergePdfIfNewer(singlePdfs, combined):
|
||||
from PyPDF2 import PdfFileMerger, PdfFileReader
|
||||
singles_time = np.array([])
|
||||
for fi in singlePdfs:
|
||||
singles_time = np.append(singles_time, [getTime(fi)])
|
||||
combined_time = getTime(combined)
|
||||
if np.any(singles_time>combined_time):
|
||||
allcombined = PdfFileMerger()
|
||||
for fl in singlePdfs:
|
||||
allcombined.append(PdfFileReader(fl,"rb"))
|
||||
allcombined.write(combined)
|
||||
|
||||
|
||||
if __name__ == '__main__':
|
||||
|
||||
runTest = False
|
||||
runFitting = True
|
||||
runReports = True
|
||||
runSummary = True
|
||||
|
||||
if __name__ == '__main__':
|
||||
|
||||
parser = argparse.ArgumentParser()
|
||||
parser.add_argument("-t","--test", action='store_true', help="only run a subset of fluid")
|
||||
parser.add_argument("-nf","--nofit", action='store_true', help="Do not fit the data, but read the JSON files")
|
||||
parser.add_argument("-nr","--noreports", action='store_true', help="Do not write the fitting reports")
|
||||
parser.add_argument("-ns","--nosummary", action='store_true', help="Do not generate the summary figures")
|
||||
#parser.add_argument("-f","--fluid", help="Only process the fluid FLUID")
|
||||
parser.add_argument("-fr","--fullreport", action='store_true', help="Generate one file with all fitting reports")
|
||||
|
||||
args = parser.parse_args()
|
||||
# if args.verbosity:
|
||||
# print "verbosity turned on"
|
||||
|
||||
if args.test: runTest = True
|
||||
else: runTest = False
|
||||
if args.nofit: runFitting = False
|
||||
else: runFitting = True
|
||||
if args.noreports: runReports = False
|
||||
else: runReports = True
|
||||
if args.nosummary: runSummary = False
|
||||
else: runSummary = True
|
||||
if args.fullreport:runFullreport = True
|
||||
else: runFullreport = False
|
||||
#if args.fluid: onlyFluid = args.fluid
|
||||
#else: onlyFluid = None
|
||||
|
||||
print("")
|
||||
print("Processing the incompressible fluids for CoolProp")
|
||||
print("Legend: FluidName (w) | (i) -> (w)=written, (i)=ignored, unchanged coefficient or reports")
|
||||
print("")
|
||||
|
||||
writer = SolutionDataWriter()
|
||||
doneObjs = []
|
||||
|
||||
|
||||
# To debug single fluids
|
||||
if runTest:
|
||||
solObjs = []
|
||||
@@ -41,11 +87,11 @@ if __name__ == '__main__':
|
||||
writer.writeFluidList(solObjs)
|
||||
writer.writeReportList(solObjs)
|
||||
sys.exit(0)
|
||||
|
||||
|
||||
# treat the examples first
|
||||
fluidObjs = getExampleNames(obj=True)
|
||||
examplesToFit = ["ExamplePure","ExampleSolution","ExampleDigital","ExampleDigitalPure"]
|
||||
|
||||
|
||||
print("\nProcessing example fluids")
|
||||
for obj in fluidObjs:
|
||||
if obj.name in examplesToFit:
|
||||
@@ -53,12 +99,17 @@ if __name__ == '__main__':
|
||||
else: writer.fromJSON(obj)
|
||||
doneObjs += fluidObjs[:]
|
||||
if runFitting: writer.writeFluidList(doneObjs)
|
||||
if runReports: writer.writeReportList(doneObjs, pdfFile="all_examples.pdf")
|
||||
|
||||
# If the examples did not cause any errors,
|
||||
if runReports:
|
||||
# TODO: The new method for multipage PDFs produces larger files, why?
|
||||
writer.writeReportList(doneObjs, pdfFile="all_examples.pdf")
|
||||
#singleNames = [writer.get_report_file(fl.name) for fl in doneObjs]
|
||||
#mergePdfIfNewer(singleNames, "all_examples.pdf")
|
||||
|
||||
|
||||
# If the examples did not cause any errors,
|
||||
# we can proceed to the real data.
|
||||
doneObjs = []
|
||||
|
||||
|
||||
print("\nProcessing fluids with given coefficients")
|
||||
fluidObjs = getCoefficientFluids()
|
||||
doneObjs += fluidObjs[:]
|
||||
@@ -68,11 +119,11 @@ if __name__ == '__main__':
|
||||
if runFitting: writer.fitFluidList(fluidObjs)
|
||||
else: writer.readFluidList(fluidObjs)
|
||||
doneObjs += fluidObjs[:]
|
||||
|
||||
|
||||
print("\nProcessing Melinder fluids")
|
||||
fluidObjs = getMelinderFluids()
|
||||
doneObjs += fluidObjs[:]
|
||||
|
||||
|
||||
print("\nProcessing pure fluids")
|
||||
fluidObjs = getPureFluids()
|
||||
if runFitting: writer.fitFluidList(fluidObjs)
|
||||
@@ -84,57 +135,87 @@ if __name__ == '__main__':
|
||||
if runFitting: writer.fitSecCoolList(fluidObjs)
|
||||
else: writer.readFluidList(fluidObjs)
|
||||
doneObjs += fluidObjs[:]
|
||||
|
||||
|
||||
print("\nAll {0} fluids processed, all coefficients should be set.".format(len(doneObjs)))
|
||||
print("Checking the list of fluid objects.")
|
||||
#doneObjs += getCoefficientObjects()[:]
|
||||
doneObjs = sorted(doneObjs, key=lambda x: x.name)
|
||||
|
||||
|
||||
purefluids = []
|
||||
solMass = []
|
||||
solMole = []
|
||||
solVolu = []
|
||||
errors = []
|
||||
for i in range(len(doneObjs)-1):
|
||||
if doneObjs[i].name==doneObjs[i+1].name:
|
||||
print("Conflict between {0} and {1}, aborting".format(doneObjs[i],doneObjs[i+1]))
|
||||
raise ValueError("Two elements have the same name, that does not work: {0}".format(doneObjs[i].name))
|
||||
|
||||
|
||||
|
||||
for i in range(0,len(doneObjs)):
|
||||
|
||||
curObj = doneObjs[i]
|
||||
|
||||
if i < len(doneObjs)-2:
|
||||
nexObj = doneObjs[i+1]
|
||||
else:
|
||||
if doneObjs[i].xid==SolutionData.ifrac_mass:
|
||||
solMass += [doneObjs[i]]
|
||||
elif doneObjs[i].xid==SolutionData.ifrac_mole:
|
||||
solMole += [doneObjs[i]]
|
||||
elif doneObjs[i].xid==SolutionData.ifrac_volume:
|
||||
solVolu += [doneObjs[i]]
|
||||
elif doneObjs[i].xid==SolutionData.ifrac_pure:
|
||||
purefluids += [doneObjs[i]]
|
||||
else:
|
||||
errors += [doneObjs[i]]
|
||||
nexObj = doneObjs[0]
|
||||
|
||||
if curObj.name==nexObj.name:
|
||||
print("Conflict between {0} and {1}, aborting".format(curObj,nexObj))
|
||||
raise ValueError("Two elements have the same name, that does not work: {0}".format(curObj.name))
|
||||
else:
|
||||
if curObj.xid==SolutionData.ifrac_mass:
|
||||
solMass += [curObj]
|
||||
elif curObj.xid==SolutionData.ifrac_mole:
|
||||
solMole += [curObj]
|
||||
elif curObj.xid==SolutionData.ifrac_volume:
|
||||
solVolu += [curObj]
|
||||
elif curObj.xid==SolutionData.ifrac_pure:
|
||||
purefluids += [curObj]
|
||||
else:
|
||||
errors += [curObj]
|
||||
|
||||
if len(errors)>0:
|
||||
raise ValueError("There was a problem processing the fluid(s): {0}".format([error.name for error in errors]))
|
||||
|
||||
solutions = solMass
|
||||
solutions += solMole
|
||||
solutions += solVolu
|
||||
|
||||
|
||||
if runFitting: print("All checks passed, going to write parameters to disk.")
|
||||
if runFitting: writer.writeFluidList(doneObjs)
|
||||
|
||||
if runReports:
|
||||
|
||||
if runReports:
|
||||
print("Creating the fitting reports for the different groups.")
|
||||
#writer.writeReportList(doneObjs)
|
||||
#doneObjs.sort(key=lambda x: (x.xid ,x.name))
|
||||
if len(purefluids)>0 and runReports:
|
||||
if len(purefluids)>0:
|
||||
print("Processing {0:2d} pure fluids - ".format(len(purefluids)), end="")
|
||||
writer.writeReportList(purefluids, pdfFile="all_pure.pdf")
|
||||
if len(solutions)>0 and runReports:
|
||||
writer.writeReportList(purefluids)#, pdfFile="all_pure.pdf")
|
||||
#singleNames = [writer.get_report_file(fl.name) for fl in purefluids]
|
||||
#mergePdfIfNewer(singleNames, "all_pure.pdf")
|
||||
|
||||
if len(solutions)>0:
|
||||
print("Processing {0:2d} solutions - ".format(len(solutions)), end="")
|
||||
writer.writeReportList(solutions, pdfFile="all_solutions.pdf")
|
||||
if len(errors)>0 and runReports:
|
||||
print("Processing {0:2d} faulty fluids - ".format(len(errors)), end="")
|
||||
writer.writeReportList(errors, pdfFile="all_errors.pdf")
|
||||
|
||||
writer.writeReportList(solutions)#, pdfFile="all_solutions.pdf")
|
||||
#singleNames = [writer.get_report_file(fl.name) for fl in solutions]
|
||||
#mergePdfIfNewer(singleNames, "all_solutions.pdf")
|
||||
|
||||
if runFullreport:
|
||||
print("Creating the full fitting report.")
|
||||
|
||||
combined_name = "all_incompressibles.pdf"
|
||||
|
||||
if len(doneObjs)>0:
|
||||
singles_time = np.array([])
|
||||
for fl in doneObjs:
|
||||
singles_time = np.append(singles_time, [getTime(writer.get_report_file(fl.name))])
|
||||
combined_time = getTime(combined_name)
|
||||
if np.any(singles_time>combined_time):
|
||||
print("Processing {0:2d} fluids - ".format(len(doneObjs)), end="")
|
||||
writer.writeReportList(doneObjs, pdfFile=combined_name)
|
||||
|
||||
if runSummary:
|
||||
writer.makeSolutionPlots(solObjs=doneObjs, pdfObj=None)
|
||||
|
||||
print("All done, bye")
|
||||
sys.exit(0)
|
||||
|
||||
|
||||
@@ -2,53 +2,53 @@
|
||||
"T_freeze": {
|
||||
"coeffs": [
|
||||
[
|
||||
5.609719171e+00,
|
||||
-6.509781426e-02,
|
||||
-9.158158969e-01,
|
||||
3.290908403e+00,
|
||||
-7.040654955e+00,
|
||||
4.622115836e+00
|
||||
5.609719e+00,
|
||||
-6.509781e-02,
|
||||
-9.158159e-01,
|
||||
3.290908e+00,
|
||||
-7.040655e+00,
|
||||
4.622116e+00
|
||||
]
|
||||
],
|
||||
"type": "exppolynomial"
|
||||
},
|
||||
"Tbase": 0.000000000e+00,
|
||||
"Tmax": 3.731500000e+02,
|
||||
"Tmin": 2.381500000e+02,
|
||||
"TminPsat": 3.731500000e+02,
|
||||
"Tbase": 0.000000e+00,
|
||||
"Tmax": 3.731500e+02,
|
||||
"Tmin": 2.381500e+02,
|
||||
"TminPsat": 3.731500e+02,
|
||||
"conductivity": {
|
||||
"coeffs": [
|
||||
[
|
||||
-9.620598770e-01,
|
||||
2.536521578e+00,
|
||||
-2.430821209e+00,
|
||||
1.895451529e+00,
|
||||
-2.121385266e+00,
|
||||
1.192263427e+00
|
||||
-9.620599e-01,
|
||||
2.536522e+00,
|
||||
-2.430821e+00,
|
||||
1.895452e+00,
|
||||
-2.121385e+00,
|
||||
1.192263e+00
|
||||
],
|
||||
[
|
||||
9.358664249e-03,
|
||||
-2.056496962e-02,
|
||||
1.696770884e-02,
|
||||
-3.191381138e-03,
|
||||
-2.372098448e-04,
|
||||
0.000000000e+00
|
||||
9.358664e-03,
|
||||
-2.056497e-02,
|
||||
1.696771e-02,
|
||||
-3.191382e-03,
|
||||
-2.372098e-04,
|
||||
0.000000e+00
|
||||
],
|
||||
[
|
||||
-1.553655193e-05,
|
||||
4.325203303e-05,
|
||||
-4.127655083e-05,
|
||||
5.716024111e-06,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00
|
||||
-1.553655e-05,
|
||||
4.325203e-05,
|
||||
-4.127655e-05,
|
||||
5.716025e-06,
|
||||
0.000000e+00,
|
||||
0.000000e+00
|
||||
],
|
||||
[
|
||||
5.888191482e-09,
|
||||
-2.839873155e-08,
|
||||
3.179826982e-08,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00
|
||||
5.888192e-09,
|
||||
-2.839873e-08,
|
||||
3.179827e-08,
|
||||
0.000000e+00,
|
||||
0.000000e+00,
|
||||
0.000000e+00
|
||||
]
|
||||
],
|
||||
"type": "polynomial"
|
||||
@@ -56,36 +56,36 @@
|
||||
"density": {
|
||||
"coeffs": [
|
||||
[
|
||||
9.077632768e+02,
|
||||
4.596565992e+01,
|
||||
4.900762762e+02,
|
||||
-9.721285018e+02,
|
||||
1.286739890e+03,
|
||||
-6.933963025e+02
|
||||
9.077633e+02,
|
||||
4.596569e+01,
|
||||
4.900762e+02,
|
||||
-9.721284e+02,
|
||||
1.286740e+03,
|
||||
-6.933962e+02
|
||||
],
|
||||
[
|
||||
8.291603597e-01,
|
||||
1.250161391e+00,
|
||||
-2.112928772e+00,
|
||||
6.693383373e-01,
|
||||
-6.817559763e-02,
|
||||
0.000000000e+00
|
||||
8.291604e-01,
|
||||
1.250161e+00,
|
||||
-2.112929e+00,
|
||||
6.693382e-01,
|
||||
-6.817555e-02,
|
||||
0.000000e+00
|
||||
],
|
||||
[
|
||||
-1.516858652e-03,
|
||||
-4.344982336e-03,
|
||||
5.280182470e-03,
|
||||
-8.979712141e-04,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00
|
||||
-1.516859e-03,
|
||||
-4.344982e-03,
|
||||
5.280183e-03,
|
||||
-8.979712e-04,
|
||||
0.000000e+00,
|
||||
0.000000e+00
|
||||
],
|
||||
[
|
||||
-9.073173335e-07,
|
||||
4.118599010e-06,
|
||||
-4.391163613e-06,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00
|
||||
-9.073173e-07,
|
||||
4.118599e-06,
|
||||
-4.391163e-06,
|
||||
0.000000e+00,
|
||||
0.000000e+00,
|
||||
0.000000e+00
|
||||
]
|
||||
],
|
||||
"type": "polynomial"
|
||||
@@ -94,12 +94,12 @@
|
||||
"mass2input": {
|
||||
"coeffs": [
|
||||
[
|
||||
-8.676771554e-05,
|
||||
8.711163256e-01,
|
||||
2.899710201e-01,
|
||||
-7.174561966e-01,
|
||||
1.423644598e+00,
|
||||
-1.011664968e+00
|
||||
-8.676772e-05,
|
||||
8.711163e-01,
|
||||
2.899710e-01,
|
||||
-7.174562e-01,
|
||||
1.423645e+00,
|
||||
-1.011665e+00
|
||||
]
|
||||
],
|
||||
"type": "polynomial"
|
||||
@@ -117,36 +117,36 @@
|
||||
"specific_heat": {
|
||||
"coeffs": [
|
||||
[
|
||||
3.692583306e+03,
|
||||
-2.599097397e+03,
|
||||
-2.952576827e+03,
|
||||
9.103511481e+03,
|
||||
-1.434572178e+04,
|
||||
7.905301276e+03
|
||||
3.692583e+03,
|
||||
-2.599098e+03,
|
||||
-2.952576e+03,
|
||||
9.103510e+03,
|
||||
-1.434572e+04,
|
||||
7.905301e+03
|
||||
],
|
||||
[
|
||||
1.858463775e+00,
|
||||
3.985895633e+00,
|
||||
-2.054892937e+00,
|
||||
5.007961160e+00,
|
||||
-6.689401609e-01,
|
||||
0.000000000e+00
|
||||
1.858464e+00,
|
||||
3.985896e+00,
|
||||
-2.054894e+00,
|
||||
5.007963e+00,
|
||||
-6.689408e-01,
|
||||
0.000000e+00
|
||||
],
|
||||
[
|
||||
-2.493095175e-03,
|
||||
9.117152014e-03,
|
||||
-6.471693745e-03,
|
||||
-5.359817322e-03,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00
|
||||
-2.493095e-03,
|
||||
9.117152e-03,
|
||||
-6.471693e-03,
|
||||
-5.359818e-03,
|
||||
0.000000e+00,
|
||||
0.000000e+00
|
||||
],
|
||||
[
|
||||
2.916138000e-06,
|
||||
-1.239414374e-05,
|
||||
1.419542775e-05,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00
|
||||
2.916138e-06,
|
||||
-1.239414e-05,
|
||||
1.419542e-05,
|
||||
0.000000e+00,
|
||||
0.000000e+00,
|
||||
0.000000e+00
|
||||
]
|
||||
],
|
||||
"type": "polynomial"
|
||||
@@ -154,36 +154,36 @@
|
||||
"viscosity": {
|
||||
"coeffs": [
|
||||
[
|
||||
-9.083208802e+00,
|
||||
2.959048724e+02,
|
||||
-3.535369530e+02,
|
||||
1.915320586e+02,
|
||||
-3.745698255e+02,
|
||||
2.528586677e+02
|
||||
-9.083209e+00,
|
||||
2.959049e+02,
|
||||
-3.535370e+02,
|
||||
1.915320e+02,
|
||||
-3.745697e+02,
|
||||
2.528586e+02
|
||||
],
|
||||
[
|
||||
7.656352416e-02,
|
||||
-2.655212153e+00,
|
||||
2.746158844e+00,
|
||||
4.594103103e-01,
|
||||
-2.651483568e-01,
|
||||
0.000000000e+00
|
||||
7.656353e-02,
|
||||
-2.655212e+00,
|
||||
2.746159e+00,
|
||||
4.594102e-01,
|
||||
-2.651484e-01,
|
||||
0.000000e+00
|
||||
],
|
||||
[
|
||||
-3.961535543e-04,
|
||||
8.362833749e-03,
|
||||
-9.286505419e-03,
|
||||
-2.477100848e-04,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00
|
||||
-3.961536e-04,
|
||||
8.362834e-03,
|
||||
-9.286506e-03,
|
||||
-2.477100e-04,
|
||||
0.000000e+00,
|
||||
0.000000e+00
|
||||
],
|
||||
[
|
||||
5.171920158e-07,
|
||||
-8.726740791e-06,
|
||||
9.973463365e-06,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00,
|
||||
0.000000000e+00
|
||||
5.171920e-07,
|
||||
-8.726741e-06,
|
||||
9.973463e-06,
|
||||
0.000000e+00,
|
||||
0.000000e+00,
|
||||
0.000000e+00
|
||||
]
|
||||
],
|
||||
"type": "exppolynomial"
|
||||
@@ -192,8 +192,8 @@
|
||||
"coeffs": "null",
|
||||
"type": "notdefined"
|
||||
},
|
||||
"xbase": 0.000000000e+00,
|
||||
"xbase": 0.000000e+00,
|
||||
"xid": "volume",
|
||||
"xmax": 6.000000000e-01,
|
||||
"xmin": 1.000000000e-01
|
||||
"xmax": 6.000000e-01,
|
||||
"xmin": 1.000000e-01
|
||||
}
|
||||
@@ -2,53 +2,53 @@
|
||||
"T_freeze": {
|
||||
"coeffs": [
|
||||
[
|
||||
5.611339359e+00,
|
||||
-5.447346572e-02,
|
||||
-3.086401558e-01,
|
||||
3.437472159e-01,
|
||||
-2.043835878e-01,
|
||||
4.414577340e-03
|
||||
5.611339e+00,
|
||||
-5.447347e-02,
|
||||
-3.086402e-01,
|
||||
3.437472e-01,
|
||||
-2.043836e-01,
|
||||
4.414577e-03
|
||||
]
|
||||
],
|
||||
"type": "exppolynomial"
|
||||
},
|
||||
"Tbase": 0.000000000e+00,
|
||||
"Tmax": 3.231500000e+02,
|
||||
"Tmin": 2.331500000e+02,
|
||||
"TminPsat": 3.231500000e+02,
|
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|
||||
"coeffs": [
|
||||
[
|
||||
1.156385000e+03
|
||||
1.156385e+03
|
||||
],
|
||||
[
|
||||
2.100000000e+00
|
||||
2.100000e+00
|
||||
],
|
||||
[
|
||||
-1.390075223e-13
|
||||
8.650944e-15
|
||||
],
|
||||
[
|
||||
1.136243877e-16
|
||||
-1.546072e-16
|
||||
]
|
||||
],
|
||||
"type": "polynomial"
|
||||
},
|
||||
"viscosity": {
|
||||
"coeffs": [
|
||||
9.747271722e+02,
|
||||
-5.079628603e+01,
|
||||
1.061232421e+01
|
||||
9.747272e+02,
|
||||
-5.079629e+01,
|
||||
1.061232e+01
|
||||
],
|
||||
"type": "exponential"
|
||||
},
|
||||
@@ -85,8 +85,8 @@
|
||||
"coeffs": "null",
|
||||
"type": "notdefined"
|
||||
},
|
||||
"xbase": 0.000000000e+00,
|
||||
"xbase": 0.000000e+00,
|
||||
"xid": "pure",
|
||||
"xmax": 0.000000000e+00,
|
||||
"xmin": 0.000000000e+00
|
||||
"xmax": 0.000000e+00,
|
||||
"xmin": 0.000000e+00
|
||||
}
|
||||
Some files were not shown because too many files have changed in this diff Show More
Reference in New Issue
Block a user