PTEROSOR/QUESTDB_website
10
0
Fork 0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-26 14:23:42 +01:00
Code Releases Activity
1,226 Commits 2 Branches 0 Tags 28 MiB
02d026639f
Commit Graph

64 Commits

Author SHA1 Message Date
Mickaël Véril
718795aebb More explicit export buttons 2021-11-29 13:48:59 +01:00
Mickaël Véril
e0e3bb1597 Support LaTex in molecule name 2021-11-12 18:13:52 +01:00
Mickaël Véril
c3f18d575e New reference for excitation type is now only TBE_aug-cc-pVTZ 2021-11-03 13:29:12 +01:00
mveril
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
mveril
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
mveril
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
mveril
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
mveril
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
mveril
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
mveril
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
Anthony Scemama
feaee8acd1 Fast loading time 2020-11-20 00:23:28 +01:00
Anthony Scemama
768420b677 Acceleration 2020-11-19 23:18:52 +01:00
Anthony Scemama
5d637180c7 Faster uniq function 2020-11-19 23:12:14 +01:00
Anthony Scemama
f694529175 Remove some async DOI 2020-11-19 21:06:36 +01:00
Mickaël Véril
6eb8717f55 Save indexDB to window.indexDB automaticaly to avoid re-created it 2020-11-01 16:57:16 +01:00
Mickaël Véril
ed21b74fc8 Use saved crossref data for publications 2020-11-01 16:18:00 +01:00
Mickaël Véril
2d9492471f Fix basis sort 2020-10-09 10:32:02 +02:00
Mickaël Véril
3c0eb7f519 Fix initialization of size range 2020-09-29 15:25:14 +02:00
Mickaël Véril
bcaeb86566 Fix typo 2020-09-29 13:04:55 +02:00
Mickaël Véril
1fb7172f42 Reload size selector when needed 2020-09-29 12:13:00 +02:00
Mickaël Véril
2a1c9520ee Fix processingIndicator missing 2020-09-29 11:47:22 +02:00
Mickaël Véril
4131a34a1c reloadGeoms before reloadCustomFiles 2020-09-29 11:45:05 +02:00
Mickaël Véril
7273c3f392 Add filters for molecule size (defined by the number of non-H atoms) 2020-09-29 11:31:48 +02:00
Mickaël Véril
da4cb6e610 Load all: molecules at start 2020-09-28 15:41:23 +02:00
Mickaël Véril
b717bd302b Merge branch 'master' into readXYZ 2020-09-28 09:33:37 +02:00
Mickaël Véril
32b518c8f4 Add mhchemCE utility 2020-09-28 09:31:11 +02:00
Mickaël Véril
414b0a3b16 Add ChemDoodleWeb 2020-09-24 16:55:51 +02:00
Mickaël Véril
5d4039ea3b Use an extension method to fix Array.find don't support async callback 2020-09-21 17:03:10 +02:00
Mickaël Véril
2ecdb00eec Alphabetic order for selects 2020-09-21 11:13:36 +02:00
Mickaël Véril
dbd8facf06 Change sets handling 2020-09-20 17:54:16 +02:00
Mickaël Véril
3d192d3cde Increase the size of graph +50% 2020-09-16 10:01:40 +02:00
Mickaël Véril
7f37ee8000 Add unit to legend 2020-09-16 09:27:06 +02:00
Mickaël Véril
4dddd52b07 Replace energy by error 2020-09-16 09:21:20 +02:00
Mickaël Véril
3c3218dcf2 Fix x axis label 2020-09-15 16:56:39 +02:00
Mickaël Véril
220314190b Replace MAD by MAE 2020-09-15 15:56:15 +02:00
Pierre-Francois Loos
10fca197cc modifs 2020-09-10 14:14:20 +02:00
Mickaël Véril
1a9198082b Apply new method name in code 2020-09-09 18:23:39 +02:00
Mickaël Véril
2186f849a5 Rewriting of publication sort method using array 2020-09-09 17:58:56 +02:00
Mickaël Véril
ec92f2d802 Article without DOI support 2020-09-09 17:47:35 +02:00
Mickaël Véril
71114dedd4 remove unused variable 2020-09-04 16:34:11 +02:00
Mickaël Véril
7b25b3e580 Fix bug when DOI is not defined 2020-09-04 15:08:53 +02:00
Mickaël Véril
0b09a98713 Remove DOI class 2020-09-04 14:59:55 +02:00
Mickaël Véril
7048ffe7ad Use set instead of DOI in T1ref 2020-09-04 12:15:37 +02:00
Mickaël Véril
4b5a0382e2 Remove not requred method="post" for form_dat 2020-09-04 10:44:56 +02:00
Mickaël Véril
8223e9928a Fix duplicate lines of code 2020-09-03 17:15:58 +02:00
Mickaël Véril
461e2f8340 Minor performance improvement 2020-09-03 17:12:08 +02:00
Mickaël Véril
0359764e55 Fix VertExcitationKind in stats 2020-09-03 16:55:26 +02:00
Mickaël Véril
6ead74674e Remove not required (and time-consuming) mathjax typesetting for molecules select 2020-09-02 16:42:04 +02:00
Mickaël Véril
d200c10080 Delete getPublis.js Replaced by PubliDB.js since 62acffa870 2020-08-26 15:13:54 +02:00
Mickaël Véril
cdb5f5978c Fix error for "Unknow set" (when DOI is not defined in data file) 2020-08-26 15:04:30 +02:00