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Oopstom commited on
Commit
081f4b5
·
1 Parent(s): e76a5fb

modify app.py

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Files changed (3) hide show
  1. app.py +1 -1
  2. tmp_data/src.txt +1 -1
  3. tmp_data/tgt.txt +10 -10
app.py CHANGED
@@ -197,7 +197,7 @@ with gr.Blocks() as interface:
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  with gr.Row(visible=False) as secondary_inputs:
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  atom1_idx = gr.Number(label="The first atom index", minimum=1)
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- atom2_idx = gr.Number(label="The second atom index", minimum=2)
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  operation = gr.Dropdown(choices=["break this bond", "change this bond to single bond", "change this bond to double bond", "change this bond to triple bond"], label="Operation")
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  submit_operation_button = gr.Button("Submit Operation")
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  with gr.Row(visible=False) as secondary_inputs:
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  atom1_idx = gr.Number(label="The first atom index", minimum=1)
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+ atom2_idx = gr.Number(label="The second atom index", minimum=1)
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  operation = gr.Dropdown(choices=["break this bond", "change this bond to single bond", "change this bond to double bond", "change this bond to triple bond"], label="Operation")
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  submit_operation_button = gr.Button("Submit Operation")
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tmp_data/src.txt CHANGED
@@ -1 +1 @@
1
- N # C C 1 = C C = C ( C ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1
 
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+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1
tmp_data/tgt.txt CHANGED
@@ -1,10 +1,10 @@
1
- N # C C 1 = C C = C ( C ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1 < [ B r : 1 ] > < >
2
- N # C C 1 = C C = C ( C ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1 < [ C l : 1 ] > < >
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- N # C C 1 = C C = C ( C ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1 < [ F : 1 ] > < >
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- N # C C 1 = C C = C ( [ r C H ] ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1 < [ B r : 1 ] > < >
5
- N # C C 1 = C C = C ( [ r C H ] ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1 < [ C l : 1 ] > < >
6
- N # C C 1 = C C = C ( C ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1 < [ O H : 1 ] > < >
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- N # C C 1 = C C = C ( C ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1 < [ I : 1 ] > < >
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- N # C C 1 = C C = C ( B ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1 < [ B r : 1 ] > < >
9
- N # C C 1 = C C = C ( [ r C H ] ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1 < [ O H : 1 ] > < >
10
- N # C C 1 = C C = C ( [ s C H ] ( C ( O ) C C 2 = C C = C ( F ) C = C 2 ) ! N 2 C = N C = N 2 ) C = C 1 < [ C l : 1 ] > < >
 
1
+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1 < [ I : 1 ] > < O [ B : 1 ] O >
2
+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1 < [ B r : 1 ] > < O [ B : 1 ] O >
3
+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1 < [ I : 1 ] > < [ I : 1 ] >
4
+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1 < [ C l : 1 ] > < O [ B : 1 ] O >
5
+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1 < [ C l : 1 ] > < [ I : 1 ] >
6
+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1 < [ B r : 1 ] > < [ I : 1 ] >
7
+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1 < [ I : 1 ] > < [ M g + : 1 ] >
8
+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1 < [ I : 1 ] > < [ B r : 1 ] >
9
+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1 < [ B r : 1 ] > < O [ B : 1 ] C >
10
+ N # C C 1 = C C = C ( C ( C ( O ) C ! C 2 = C C = C ( F ) C = C 2 ) N 2 C = N C = N 2 ) C = C 1 < [ B r : 1 ] > < O [ B : 1 ] O : 1 >