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ec9616e
create react app
Oct 26, 2022
04303a2
cleanup ./app
Oct 26, 2022
257d593
scaffolding react router
Oct 26, 2022
304fa00
beginning of routing browse page
Oct 26, 2022
4f818de
better formatting
Oct 26, 2022
50aaf66
class to className because React is picky
Oct 26, 2022
e57031b
initial fetch request
Oct 28, 2022
1d329e8
successfully pulling data from ord api
Oct 28, 2022
e796a6e
vue set up
Nov 3, 2022
98c0f92
reverse proxying to api
Nov 3, 2022
e53b7eb
main components in place
Nov 3, 2022
de1b0d3
full transition to vue
Nov 3, 2022
a3d8867
footer style
Nov 3, 2022
28ac81e
navbar style
Nov 3, 2022
9f1a12e
cursory table styling
Nov 3, 2022
665c678
script before template
Nov 3, 2022
925ec5d
created entityTable for reuse
Nov 3, 2022
e66fba0
readme
Nov 3, 2022
2240656
better pagination
Nov 4, 2022
49efbbd
full suite of pagination functionality
Nov 4, 2022
a4aec08
search works on entity table
Nov 4, 2022
3b3419a
initializing search page with options
Nov 4, 2022
e715e3c
structure and basic values for reagents
Nov 4, 2022
520b51c
functional reagents section
Nov 4, 2022
542f3fa
ketcher modael placeholder
Nov 4, 2022
81626b1
more styling
Nov 4, 2022
db30759
searchOptions in columns
Nov 4, 2022
e294816
reusable itemList component for search options
Nov 4, 2022
a7d1fef
apply searchItemList to all search options
Nov 4, 2022
997d24f
quick search param v-model
Nov 4, 2022
b4d4d15
renamed ketcher modal to avoid gitignore
Nov 4, 2022
cb3a0e0
transition for option sections
Nov 14, 2022
c8ef45f
standardize search option dropdown buttons
Nov 14, 2022
2676b88
kecher added to router
Nov 14, 2022
7e05306
loading ketcher in vue
Nov 14, 2022
87f7609
import ketcher js at mounted
Nov 14, 2022
be115a7
cleanup package.json in root
Nov 14, 2022
bb8fb98
included ketcher in readme
Nov 14, 2022
e014997
removed html loader
Nov 14, 2022
9592a74
ketcher template files in public
Nov 14, 2022
e407522
copying ketcher templates at build
Nov 14, 2022
4906f7f
ketcher is full screen
Nov 14, 2022
e494f9b
ketcher modal styling
Nov 14, 2022
a039887
getting smiles from ketcher
Nov 14, 2022
3bb21ef
ketchermodal is emitting smiles value
Nov 15, 2022
af5b9d7
ketcher modal loads existing smiles if passed in
Nov 15, 2022
d3c20c5
loading spinner in ketcher modal
Nov 15, 2022
3c9d4f9
fetching query results in search
Nov 17, 2022
677c113
basic display of search result reaction ids
Nov 17, 2022
d7714c4
getting and displaying reaction tables for search results
Nov 18, 2022
55a6ee7
loading screen for search results
Nov 18, 2022
4ec2580
loading spinner for getting reaction table in search results
Nov 18, 2022
a167814
default dataset id and emiting search option values
Nov 18, 2022
ed9faa2
hover for search results
Nov 18, 2022
d12b6a7
functionality for downloading results
Dec 1, 2022
bf0452e
download results button in place
Dec 1, 2022
4d3198c
passing search page query string directly into api call
Dec 1, 2022
af3dba3
showing basic search options coming in from url params
Dec 1, 2022
2821ebc
bringing in all variables from url query
Dec 1, 2022
232df8f
upateSearchOptions with all query options
Dec 1, 2022
dca3264
handle page update when new search is submitted
Dec 2, 2022
4d2fa1b
a little cleanup
Dec 2, 2022
d97d1a9
routing for reaction-view
Dec 2, 2022
4118ea2
setting up initial query to api for reaction data
Dec 2, 2022
9e1f2a2
getting array buffer from /editor/ endpoint
Dec 8, 2022
f7011f8
merge changes from main
Jan 6, 2023
f6f0dfe
new ord-schema working with app
Jan 6, 2023
19efb1d
route api/id/<reaction_id> returns proto
Jan 25, 2023
673b1b6
success! protobuffer to object
Jan 25, 2023
b880750
cleaned up initial reaction fetch in reactoin view
Jan 25, 2023
1991f01
getting reaction render for reactionView
Jan 25, 2023
e405c34
quick display for summary
Jan 25, 2023
8548658
reaction identifiers displaying
Jan 26, 2023
40af565
input details displaying nicely
Jan 26, 2023
66951b3
tab styling
Jan 26, 2023
87cb54c
attempt to get svg compound render
Feb 3, 2023
35d6242
getting svg back from api
Feb 10, 2023
549ead4
successfully displaying svg of compound
Feb 10, 2023
a2e28c2
watch for change in compound
Feb 10, 2023
b34495d
a little better handling of async calls on reaction view page
Feb 10, 2023
3877246
attempt at retrieving compound amount
Feb 10, 2023
732ed51
figuring out mole unit from reaction_pb
Feb 10, 2023
ab27a5b
figuring out amount/role of compound on front end
Feb 10, 2023
49d7471
cleanup api routes not in use
Feb 10, 2023
2839c61
amounts and types displaying correctly
Feb 10, 2023
9ae7e4f
all pieces of component view updating correclty
Feb 10, 2023
39e2faa
round off trailing digits
Feb 10, 2023
5120928
prep for raw data
Feb 10, 2023
009cccc
v-for components
Feb 10, 2023
45620be
raw data prepped
Feb 16, 2023
fb3b322
generic modal for displaying raw data
Feb 16, 2023
715b1e1
raw data modal workiing
Feb 16, 2023
aee8ecb
handling modal overflow
Feb 16, 2023
11eca2a
setupView
Feb 17, 2023
29d4d9e
setupView cleanup
Feb 17, 2023
bfb165b
some conditioning for different fields in setupView
Feb 17, 2023
27257e3
conditions panel
Feb 17, 2023
b5d1454
conditions temp and pressure
Feb 17, 2023
ad59daa
conditions stirring
Feb 17, 2023
e71393b
basics of conditions in place
Feb 17, 2023
5b7d797
notes section
Feb 17, 2023
30a46b3
basic observations section placeholder
Feb 17, 2023
1043c5e
workupsview skeleton
Feb 24, 2023
26d4b54
workups tab
Feb 24, 2023
6af9196
workups section
Feb 24, 2023
1fe7c36
outcomeview skeleton
Feb 24, 2023
9fe047b
updated styling for titles
Feb 24, 2023
bbd4e72
compoundView updated with new details for productCompound
Feb 24, 2023
262ea16
amount abstracted to util functions
Feb 24, 2023
2bb8695
measurements for outcomes
Feb 24, 2023
93c6be6
analyses in outcomesview
Mar 3, 2023
ced9a8c
raw analyses modal
Mar 3, 2023
2096d52
provenance view
Mar 3, 2023
e21d678
record events skeleton
Mar 3, 2023
03c3dc1
events
Mar 3, 2023
ef6edf3
quick raw reaction display
Mar 3, 2023
fde0109
setting up side nav
Mar 3, 2023
b571f82
nav updates as you scroll
Mar 3, 2023
5fb7f37
tweak side nav transition speed
Mar 3, 2023
c3d1790
accurate width for sections
Mar 3, 2023
8235058
setting width for reaction view
Mar 10, 2023
a7f26c0
search options are vertical side bar
Mar 10, 2023
3fa48d3
stack entity table pagination a little on smaller screen width
Mar 10, 2023
ccc3578
basic slide out for search optoins
Mar 10, 2023
e848f8a
% instead of vh/w for floating modal
Mar 10, 2023
86f465e
ids on parent divs helps smooth the nav transition
Mar 10, 2023
d300515
search refining search options
Mar 10, 2023
ff3615b
make sure ketcher takes up full screen
Mar 10, 2023
0cf2e62
title for filters & options in search
Mar 10, 2023
77bccde
use variable blue and grey everywhere
Mar 10, 2023
6886b0a
generate random sample on search if no query is present
Mar 10, 2023
f58d059
remove searchParams if no values
Mar 10, 2023
9d70628
quick styling for home img
Mar 10, 2023
beb4673
nice loading transition for reaction view
Mar 10, 2023
d4c2f16
standardized buttons and search filters look nicer
Mar 17, 2023
37a7200
readme
Mar 17, 2023
a09298b
readme
Mar 17, 2023
fc7a131
updated readme with better setup instructions
Apr 11, 2023
f2baa53
readme formatting
Apr 11, 2023
6f2fd50
readme tweaks
Apr 12, 2023
21949a0
more readme tweaks
Apr 12, 2023
107151b
use docker image instead of flask dev
May 4, 2023
e007e3b
contribute is routed
May 4, 2023
c34bf93
get started
May 4, 2023
0410afa
storing enumerate files in vue
May 4, 2023
80058d7
editor > editor-api and some styling for enumeration
May 4, 2023
990f4cc
broke out enumerate into separate file
May 19, 2023
263812e
upload sub page
May 19, 2023
d19aac8
basic submit for new dataset works
May 19, 2023
3b7248f
create > datasets
May 19, 2023
d513bcd
working on github auth
Jun 8, 2023
ab6a556
updated ord-schema #70
Jun 27, 2023
d3325af
update vue.config with more inclusive reverse proxy targets, resolves…
Jun 27, 2023
e3fc2eb
use existing fetch_reaction api endpoint
Jun 28, 2023
7928fd3
search results now with lots of reaction data
Jun 28, 2023
296e492
basic display of reaction info in search results
Jun 28, 2023
cd6b396
similirity threshold is slider
Jun 29, 2023
7336e07
condition variables extracted to util file
Jun 29, 2023
8fb6ce5
outcomeUtil for formattedTime
Jun 29, 2023
3c95c0b
conditionsAndDuration displaying nicely in search results
Jun 29, 2023
059e970
use ° and first letter for temp
Jun 29, 2023
9af38cb
darkgrey css var
Jun 29, 2023
da4a498
copy to clilpboard button works nicely
Jun 29, 2023
0822b48
quick style tweaks for search results page
Jun 29, 2023
15b43d4
added unquote to query for component.pattern
Jun 29, 2023
aca0c20
edge case handling for how components are passed through url
Jun 29, 2023
5a84851
truncate smile if too long in search results
Jun 29, 2023
c2c29cc
copy icon
Jun 29, 2023
e0b56e1
not using vue route.query because it wasnt decoding values properly
Jun 29, 2023
7fe2f9c
do not need to pre-encode url params. it was causing issues
Jun 29, 2023
47ae32b
cleaned up some console logs
Jun 29, 2023
979ad99
adding selected reactions to array
Jun 30, 2023
ed9324a
cleaned up reaction-container
Jun 30, 2023
1914868
checkboxes persist correctly between search pages and view selected b…
Jun 30, 2023
da48f75
skeleton for selectedSet
Jun 30, 2023
3f5b2d1
grabbing data and decoding for selected set page
Jun 30, 2023
65a724a
broke reaction card out into its own component
Jun 30, 2023
a8c0f20
store selectedReactions in vue state to keep it in memory when going …
Jun 30, 2023
00664dd
a little animation to view selected button to help draw attention to it
Jul 3, 2023
f905c2d
download result modal
Jul 3, 2023
22287a1
store download file type in state
Jul 3, 2023
7657464
reorganized selected set files to be nested in browse
Jul 3, 2023
3bac4d1
/api reference for api calls
Jul 3, 2023
fee4ea8
style for reaction set header
Jul 3, 2023
4ef1c9e
overflow auto on search options
Jul 3, 2023
925cb12
copy button with more options
Jul 3, 2023
704a0ef
shareable link button in search results
Jul 3, 2023
6e9ab65
shareable link button on reaction set page
Jul 3, 2023
78c861d
broke apart reactants and products in search options
Aug 24, 2023
cc7d611
matchMode as tabs
Aug 24, 2023
8e5096c
hiding similarity threshold when not searching by similar
Aug 25, 2023
1c31e76
sliders for min yield and conversion
Aug 25, 2023
2f5b840
merge conflicts
Sep 8, 2023
4c9c8f1
basic min yield and min conversion sliders working
Sep 8, 2023
bec80b2
placeholder for conversion
Sep 8, 2023
298e875
multi slider for yield
Sep 22, 2023
33805ec
multi slider for conversion
Sep 22, 2023
00d982c
get values from previous query for conversion/yield
Sep 22, 2023
31cefa0
remove yield conversion from search when at max values
Sep 22, 2023
6c12788
multiselects styled
Sep 22, 2023
5a26faf
remove prints in search.py
Sep 22, 2023
6ae4722
Updates to Vue (#76)
skearnes Nov 7, 2023
37ea1e3
Fix nginx routing (#77)
skearnes Nov 7, 2023
88d3790
readme tweak
Aug 14, 2023
f81cbf0
commit before pull
Oct 16, 2023
d5ce77d
readme include ssh tunnel documentation
Oct 16, 2023
31daf4e
checking for missing values in reaction card
Nov 8, 2023
341b7ec
styling back in for nav and some love for about
Nov 8, 2023
d45f8f9
merge conflicts
Nov 8, 2023
928bc3e
merge conflicts
Nov 8, 2023
f47fd9a
readme tweak
Nov 6, 2023
b7d7c03
handling of "not listed" info on reaction search result cards
Nov 6, 2023
cbfe842
devServer proxy for production
Nov 6, 2023
0f64258
Revert some changes (#79)
skearnes Nov 10, 2023
1c6b300
Vue issues (#89)
mikennel Nov 11, 2023
ae41c0d
Fix for 8080 redirect issue (#91)
skearnes Dec 8, 2023
1acc8d9
Vue updates (#92)
mikennel Jan 10, 2024
711459f
Update query.py (#95)
skearnes Jan 29, 2024
31c1793
Update README.md with more details about dependencies
miori-nd Feb 1, 2024
b6e2871
Merge branch 'main' into vue-readme-windows
miori-nd May 3, 2024
333a019
Update README.md
miori-nd Feb 28, 2025
c4b90d0
Merge branch 'main' into vue-readme-windows
miori-nd Feb 28, 2025
c0bdec0
Update README.md
miori-nd Feb 28, 2025
3a1b36f
Update README.md
miori-nd Feb 28, 2025
3c4f9f9
Merge branch 'main' into vue-readme-windows
miori-nd Mar 28, 2025
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6 changes: 5 additions & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -23,6 +23,7 @@ Web interface and api for the Open Reaction Database
- The test database must be running on port 5432.
- You will need to download the Ketcher interface and extract into appropriate folder (see instructions below) for
parts of the interface to work.
- To run on Windows, you can use WSL (Windows Subsystem for Linux). If using the Docker option, please ensure that Docker is installed and properly enabled for WSL.

## How to Deploy
...COMING SOON
Expand All @@ -32,7 +33,8 @@ Web interface and api for the Open Reaction Database
### 1. Download and install

```bash
git clone [email protected]:open-reaction-database/ord-interface.git
# you will need git, python, pip, and postgres installed on your computer first
git clone https://github.com/open-reaction-database/ord-interface
cd ord-interface
# If you are running on Apple silicon, use `conda install postgresql` instead.
conda install -c rdkit rdkit-postgresql
Expand All @@ -44,6 +46,7 @@ pip install -e '.[tests]'
#### Option 1: Docker

```shell
# you will need Docker installed on your computer first
cd ord_interface
./build_test_database.sh
# If you are running on Apple silicon, append `--build-arg="ARCH=aarch_64"` to the next command.
Expand All @@ -63,6 +66,7 @@ ORD_INTERFACE_TESTING=TRUE fastapi dev main.py --port=5000
- In a new terminal window:

```shell
# you will need node.js and npm installed on your computer first
cd ./app
# install node packages
npm i
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