Chris Neal
da587e8884
Added standard InChi key & string for Krypton
...
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/5416#section=Names-and-Identifiers
2018-05-10 11:51:47 -04:00
Chris Neal
515c56b891
Added standard InChi key & string for Isopentane
...
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6556#section=Names-and-Identifiers
2018-05-10 11:50:19 -04:00
Chris Neal
780984836a
Added standard InChi key & string for Isohexane
...
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/7892#section=Names-and-Identifiers
2018-05-10 11:38:10 -04:00
Chris Neal
a8accffb94
Added standard InChi key & string for Isobutene
...
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8255#section=Names-and-Identifiers
2018-05-10 00:39:23 -04:00
Chris Neal
5560b32a09
Added standard InChi key & string for Isobutane
...
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6360#section=Names-and-Identifiers
2018-05-10 00:31:53 -04:00
Chris Neal
c07f3a04b9
Added standard InChi key & string for Hydrogen Sulfide
...
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/402#section=Names-and-Identifiers
2018-05-10 00:30:05 -04:00
Chris Neal
aa0911d7b7
Added standard InChi key & string for Hydrogen Chloride
...
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/313#section=Names-and-Identifiers
2018-05-10 00:27:52 -04:00
Chris Neal
e5535b25ef
Added standard InChi key & string for Hydrogen
...
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/783#section=Names-and-Identifiers
2018-05-10 00:26:10 -04:00
Chris Neal
cc5fbba882
Added standard InChi key & string for Helium
...
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=17245
2018-05-10 00:24:22 -04:00
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
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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
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