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Commit Graph

1209 Commits

Author SHA1 Message Date
76e76aacb9 Big fix for double and formamide 2021-11-03 13:29:12 +01:00
fa10f600b8 Update QUEST#2 2021-11-03 13:29:12 +01:00
7fe13a7600 Update the fromXLSToLaTeX format to correctly handle double 2021-11-03 13:29:12 +01:00
2d8ed7b9f7 Add input file for double 2021-11-03 13:29:12 +01:00
c85e67c167 Fix "n.d." 2021-11-03 13:29:12 +01:00
c726155e81 Some fixes and update on data 2021-11-03 13:29:12 +01:00
2ae35850e1 Fix the inversion of 3 and 4 ^1A^\prime of formamide 2021-11-03 13:29:12 +01:00
baca7f5d96 Update data except QUEST#2 2021-11-03 13:29:12 +01:00
7e0e677627 Fix excel2 2021-11-03 13:29:12 +01:00
ae49e99be1 New xlsx wo QUEST#2 2021-11-03 13:29:12 +01:00
b08795c66b Fix subtitle 2021-09-01 19:39:58 +02:00
8d6e67c69c Update known working versions 2021-03-29 18:11:50 +02:00
dfcc0e2d67 Update the requirements.txt to take into account the incompatibility bugs with recent versions of TexSoup and NumPy 2021-03-29 18:11:50 +02:00
fd363c200a Change requirements to use >= 2021-03-29 18:11:50 +02:00
abb1c9ec46 Add requirements.txt 2021-03-29 18:11:50 +02:00
da587e6168 Fix metarecover 2021-03-29 18:11:33 +02:00
dd43e12626 isSameArticle fix 2021-03-29 18:11:33 +02:00
56b4ff0435 fileName check in toFile method 2021-03-29 18:11:33 +02:00
d46e0af490 Add CT and n.d support 2021-03-29 18:11:33 +02:00
659bd97dd3 Support indexed date 2021-03-01 16:25:50 +01:00
04a0d193af Update metadata for QUEST#5 publication from crossref 2021-03-01 16:25:50 +01:00
0c30ae95d2 Remove unused code 2021-02-18 11:04:17 +01:00
ae89166163 Add QUEST#5 publication 2021-02-18 11:04:17 +01:00
14ae7312fc Improvements for publications 2021-02-18 11:04:17 +01:00
d1af83bbf9
Fix missing abstracts (#15)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Fix missing abstract for publications that provide additional data

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-18 11:56:00 +01:00
78fc5dd673
Fixes in the loading process (#14)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Use valueOf in ex.type

* Fix VertExcitationKind for custom files

* Fix excitationType bug when value is set to Single by default

* Remove the unnecessary valuOf()

* Copy type of excitation from the reference for custom files

* Remove sets dependency for %T1 to allow cross set %T1 reference data

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-11 10:44:35 +01:00
bebcfdd959
Fix null array in yaml (#13)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Fix null array in yaml

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-08 15:04:40 +01:00
24241a1207
Create a root folder for the molecules.zip file (#10)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Create a root folder for the Zip file

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-08 13:43:22 +01:00
7838048223
Better csv (#11)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Fix line break in methods for the csv

* Repeat the cell instead of putting a blank cell when the row/column span of the cell is larger than one

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-08 13:42:47 +01:00
24cc2153e0
Explicit others section in the yaml file (#12)
* Add the others section explicitly in the yaml file

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-08 13:40:41 +01:00
3297ff0762
Allow to export table to csv (#9)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Fix tag stat_table

* First implementation of export table to csv

* Use custom data-csvtext propery to avoid warning emoji

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-07 16:46:13 +01:00
605d20492c
Avoid duplicated geometries on export (#8)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Replaces Array by Set in exportGeoms to avoid duplicates

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-07 15:41:39 +01:00
4baaaa0fc2
Allow to export geometries (#6)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Add function to export geometry as xyz

* Fix bug when printing z

* Fix align with website structures

* Add Export geometries fonctionality

* Better class name for select buttons

* Fix after =

* Enable export button only when it makes sense

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-07 11:15:26 +01:00
f37f7b47d9
Fix graph_div must be outside of the statistics table (#7)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Fix tag stat_table

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-07 11:14:01 +01:00
563726c954
Proposition of a new references page (#5)
* Fix broken link

* Fix bug in indexDB

* Proposition of a new references page

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-07 11:11:09 +01:00
c0cc26d1f5
Fix null instead of undefined in indexDB (#4)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-07 11:07:16 +01:00
721d95b4d0 Fix uniq function 2020-12-01 23:52:53 +01:00
Anthony Scemama
057146838f
Fix broken link (#3)
Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-11-30 15:03:34 +01:00
90eb3b8029 Remove broken link 2020-11-30 15:01:44 +01:00
c085809936 check if url is in cache 2020-11-30 00:17:08 +01:00
008da4490a Update README 2020-11-27 10:35:09 +01:00
1b0f196a6f
update QUEST5 and molecule image (#1) 2020-11-27 10:34:34 +01:00
Anthony Scemama
eae930b25f
Update README.md 2020-11-26 00:38:53 +01:00
e03fb28a47 Cleaning 2020-11-26 00:29:06 +01:00
Anthony Scemama
3e731d0579
Create LICENSE 2020-11-25 23:44:46 +01:00
616e23fc62 Fix URL 2020-11-25 01:59:56 +01:00
2b6099dff9 Deploy 2020-11-25 01:52:53 +01:00
988e660d23 https 2020-11-25 00:23:08 +01:00
ad91451372 Add patch in workflow 2020-11-25 00:19:24 +01:00
38a13023d1 Add LCPQ baseURL 2020-11-25 00:15:41 +01:00