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1536 Commits

Author SHA1 Message Date
Chris Neal
8a801b0163 Added standard InChi key & string for Heavy Water 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/24602#section=Names-and-Identifiers
 2018-05-10 00:23:05 -04:00
Chris Neal
3deed49e32 Added standard InChi key & string for HFE143 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/73947#section=Names-and-Identifiers
 2018-05-10 00:15:41 -04:00
Chris Neal
8a22cbb91c Added standard InChi key & string for Fluorine 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/24524#section=Names-and-Identifiers
 2018-05-10 00:12:21 -04:00
Chris Neal
f6d31aad8d Added standard InChi key & string for Ethylene Oxide 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6354#section=Names-and-Identifiers
 2018-05-10 00:10:34 -04:00
Chris Neal
e88116e963 Added standard InChi key & string for Ethylene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6325#section=Names-and-Identifiers
 2018-05-10 00:04:33 -04:00
Chris Neal
b157b4d065 Added standard InChi key & string for EthylBenzene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/7500#section=Names-and-Identifiers
 2018-05-10 00:03:02 -04:00
Chris Neal
9a0119669b Added standard InChi key & string for Ethanol 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/702#section=Names-and-Identifiers
 2018-05-10 00:00:03 -04:00
Chris Neal
68740c1233 Added standard InChi key & string for Ethane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6324#section=Names-and-Identifiers
 2018-05-09 23:58:05 -04:00
Chris Neal
500ad5634e Added standard InChi key & string for DimethylEther 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8254#section=Names-and-Identifiers
 2018-05-09 23:56:43 -04:00
Chris Neal
da8d4f4c16 Added standard InChi key & string for DimethylCarbonate 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/12021#section=InChI
 2018-05-09 23:54:34 -04:00
Chris Neal
02583945de Added standard InChi key & string for DiethylEther 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/3283#section=Names-and-Identifiers
 2018-05-09 23:51:39 -04:00
Chris Neal
186e4db180 Added standard InChi key & string for Dichloroethane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/11#section=Names-and-Identifiers
 2018-05-09 23:49:48 -04:00
Chris Neal
91ad682df4 Added standard InChi key & string for Deuterium 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/24523#section=Names-and-Identifiers
 2018-05-09 23:48:24 -04:00
Chris Neal
8c0ba707e8 Added standard InChi key & string for D6 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/10911#section=Names-and-Identifiers
 2018-05-09 23:41:46 -04:00
Chris Neal
acffd453e2 Added standard InChi key & string for D5 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/10913#section=Names-and-Identifiers
 2018-05-09 23:39:45 -04:00
Chris Neal
9ce8ca7e45 Added standard InChi key & string for D4 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=25640
 2018-05-09 23:36:57 -04:00
Chris Neal
98db394181 Added standard InChi key & string for Cyclopentane 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=23492
 2018-05-09 23:35:12 -04:00
Chris Neal
fa09dabd7e Added standard InChi key & string for Cyclopropane 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=30365
 2018-05-09 23:33:40 -04:00
Chris Neal
d03aafaee8 Added standard InChi key & string for Cyclohexane 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=29005
 2018-05-09 23:32:19 -04:00
Chris Neal
47350e6e88 Added standard InChi key & string for Carbonyl Sulfide 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16573
 2018-05-09 23:30:33 -04:00
Chris Neal
64a49d771e Added standard InChi key & string for Carbon Monoxide 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=17245
 2018-05-09 23:29:02 -04:00
Chris Neal
8c8125c059 Added standard InChi key & string for Carbon Dioxide 
Values obtained using IUPAC winchi-1 software from Molfile: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16526
 2018-05-09 23:26:31 -04:00
Chris Neal
bfab9f835e Added standard InChi key & string for Benzene 
Values obtained using IUPAC winchi-1 software from Molfile:https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16716
 2018-05-09 23:24:52 -04:00
Chris Neal
6f69fb7b1a Added standard InChi key & string for Argon 
Values obtained using IUPAC winchi-1 software from Molfile: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49475
 2018-05-09 23:22:45 -04:00
Chris Neal
17dcabdf35 Added standard InChi key & string for Ammonia 
Values obtained using IUPAC winchi-1 software from Molfile: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16134
 2018-05-09 23:19:57 -04:00
Chris Neal
51a199998f Added standard InChi key & string for Acetone 
Values obtained using IUPAC winchi-1 software from Molfile: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=15347
 2018-05-09 23:15:35 -04:00
Chris Neal
c132f89f72 Added standard InChi key & string for 1-Butene 
Values obtained using IUPAC winchi-1 software from Molfile: http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48362
 2018-05-09 23:12:17 -04:00
Chris Neal
f9c1dce92a Fluids alias additions (#1691) 
* Added MC8H10 alias for xylene

* Added NC4H10 to butane

* Added NC10H22 to n-decane

* Added NC12H26 alias to n-dodecane

* Added NC7H16 alias to n-heptane

* Added NC6H14 alias to n-hexane

* Added NC9H20 alias to n-nonane

* Added NC8H18 alias to n-octane

* Added NC5H12 alias to n-pentane

* Added C3H8 alias to n-propane

* Added NC11H24 alias to n-undecane

* Added OC8H10 alias to o-xylene

* Added PC8H10 alias to p-xylene
 2018-05-09 19:34:25 -06:00
thorade
17dba49712 use sorted(list) instead of list.sort() 
http://python3porting.com/improving.html#sorting-section
 2018-04-17 13:19:40 +02:00
Ian Bell
c48566367f Remove python 3.3 slaves 2018-03-10 14:29:55 -07:00
Jorrit Wronski
3fac4949f2 upload wheels using buildbot instead of rsync 2017-12-19 16:54:50 +01:00
Ian Bell
dfae574ed2 Remove unused slave from buildbot config 2017-12-18 18:49:22 -07:00
Jorrit Wronski
c001f876fa a missing comma 2017-12-18 20:57:01 +01:00
Jorrit Wronski
5944cb5992 Changed the master configuration to use the new buildbot passwords 2017-12-18 20:55:35 +01:00
Jorrit Wronski
a14d03711c Update gcc version for new OSX builder 2017-12-18 15:41:34 +01:00
thorade
b2a97330e6 fix syntax: err_count += 1 
https://stackoverflow.com/questions/2632677/python-integer-incrementing-with
 2017-12-13 16:10:00 +01:00
Matthis Thorade
19a4875879 More autopep8 (#1621) 
* autopep8 rule-groups E101,W1,W2,W3

* autopep8 with rule group E3 (blank lines)

autopep8 --in-place --recursive --max-line-length=200 --exclude="externals" --select="E101,E3,W1,W2,W3" .

* tabs and space W191

* autopep8 aggressive
 2017-12-13 14:43:41 +01:00
Matthis Thorade
526cb198a4 autopep8 whitespace (#1613) 
* autopep8 whitespace only:

--select="E101,W1,W2"

* revert single file: web2py_online.py

Should this be a .py file at all?

* revert file Tickets/1443.py because the diff looked strange:

maybe there is an encoding problem?

* Rename web2py_online.py to web2py_online.rst
 2017-12-12 08:32:38 -07:00
Ian Bell
a0e7c7680d Disable the MATLAB examples 2017-11-19 22:35:11 -07:00
Ian Bell
23c607d66a Update MSVC for Catch windows build 2017-11-17 21:42:23 -07:00
Ian Bell
3ef8042ce8 Remove all the remaining MATLAB builders; switch to python for MATLAB 2017-11-17 21:23:15 -07:00
Ian Bell
7fb71a366b Removed some buildbot builders that are no longer needed 2017-11-15 22:19:21 -07:00
Jorrit Wronski
56d7f78042 Added a new OSX builder, updated commands to handle new buildbot versions, still some work in progress 2017-10-30 09:14:15 +01:00
Jorrit Wronski
a0625011d1 Enabling the catch test again 2017-08-16 08:44:53 +02:00
whunter7
acb5686e91 Update PureFluids.py (#1517) 
Another, hopefully final, correction to Syltherm 800. The saturation pressure array values are correct, but multiplied by the wrong power of 10. This error likely happened because the wrong units were given in the Dow FluidFile (kPa instead of bar). Dow have been informed!
 2017-07-25 10:38:31 +02:00
whunter7
e9ecbf959f Update PureFluids.py (#1489) 
* Update PureFluids.py to fix issues with some incompressible fluids
* Corrected specific_heat and conductivity data for Syltherm 800
* Added DynaleneSF
 2017-05-16 15:13:16 +02:00
Ian Bell
0f75fa63f3 Improve stability of generate_headers script (git part) 2017-04-28 21:50:53 -06:00
Jorrit Wronski
4a4e3232a5 Reducing the push frequency for the coverity_scan branch, coupling it to the nightly builds 2017-04-22 00:01:06 +02:00
Jorrit Wronski
3fe5e7dfe6 Fixed the scripts to handle the coverity_scan 2017-04-21 23:52:36 +02:00
Jorrit Wronski
44172d1df0 Coverity scan (#1479) 
Added a basic Travis integration and added configuration details for coverity scans. Travis could be refined though.
 2017-04-21 16:47:20 +02:00