Spaces:
Build error
Build error
Trương Gia Bảo
commited on
Commit
·
fe40bb4
1
Parent(s):
46738a7
Adjust image size
Browse files
app.py
CHANGED
|
@@ -638,10 +638,10 @@ def Optimize_a_molecule():
|
|
| 638 |
com_col[1].markdown("<h4 style='text-align: center;'>Original</h4>",unsafe_allow_html=True)
|
| 639 |
com_col[2].markdown("<h4 style='text-align: center;'>New</h4>",unsafe_allow_html=True)
|
| 640 |
imgByteArr.seek(0)
|
| 641 |
-
MolToImage(Chem.MolFromSmiles(st.session_state.canon_smiles),size=(
|
| 642 |
old_mol = base64.b64encode(imgByteArr.getvalue()).decode()
|
| 643 |
imgByteArr.seek(0)
|
| 644 |
-
MolToImage(Chem.MolFromSmiles(st.session_state.new_smiles),size=(
|
| 645 |
new_mol = base64.b64encode(imgByteArr.getvalue()).decode()
|
| 646 |
com_col[1].markdown("<p style='text-align: center;'>"+
|
| 647 |
f"<img src='data:image/png;base64,{old_mol}' class='img-fluid'>"+
|
|
@@ -703,7 +703,7 @@ def Optimize_a_molecule():
|
|
| 703 |
for idx,patt in enumerate(old_passed['MatchedAtoms']):
|
| 704 |
st.code(old_passed['MatchedNames'][idx])
|
| 705 |
# st.markdown(patt)
|
| 706 |
-
drawer = rdMolDraw2D.MolDraw2DSVG(
|
| 707 |
# drawer.drawOptions().fillHighlights = False
|
| 708 |
matches = sum(patt, ())
|
| 709 |
drawer.DrawMolecule(mol, highlightAtoms=matches)
|
|
@@ -724,7 +724,7 @@ def Optimize_a_molecule():
|
|
| 724 |
if new_passed['MatchedNames'] != ['-']:
|
| 725 |
for idx,patt in enumerate(new_passed['MatchedAtoms']):
|
| 726 |
st.code(new_passed['MatchedNames'][idx])
|
| 727 |
-
drawer = rdMolDraw2D.MolDraw2DSVG(
|
| 728 |
# drawer.drawOptions().fillHighlights = False
|
| 729 |
matches = sum(patt, ())
|
| 730 |
drawer.DrawMolecule(mol, highlightAtoms=matches)
|
|
|
|
| 638 |
com_col[1].markdown("<h4 style='text-align: center;'>Original</h4>",unsafe_allow_html=True)
|
| 639 |
com_col[2].markdown("<h4 style='text-align: center;'>New</h4>",unsafe_allow_html=True)
|
| 640 |
imgByteArr.seek(0)
|
| 641 |
+
MolToImage(Chem.MolFromSmiles(st.session_state.canon_smiles),size=(200,200)).save(imgByteArr,format='PNG')
|
| 642 |
old_mol = base64.b64encode(imgByteArr.getvalue()).decode()
|
| 643 |
imgByteArr.seek(0)
|
| 644 |
+
MolToImage(Chem.MolFromSmiles(st.session_state.new_smiles),size=(200,200)).save(imgByteArr,format='PNG')
|
| 645 |
new_mol = base64.b64encode(imgByteArr.getvalue()).decode()
|
| 646 |
com_col[1].markdown("<p style='text-align: center;'>"+
|
| 647 |
f"<img src='data:image/png;base64,{old_mol}' class='img-fluid'>"+
|
|
|
|
| 703 |
for idx,patt in enumerate(old_passed['MatchedAtoms']):
|
| 704 |
st.code(old_passed['MatchedNames'][idx])
|
| 705 |
# st.markdown(patt)
|
| 706 |
+
drawer = rdMolDraw2D.MolDraw2DSVG(200,200)
|
| 707 |
# drawer.drawOptions().fillHighlights = False
|
| 708 |
matches = sum(patt, ())
|
| 709 |
drawer.DrawMolecule(mol, highlightAtoms=matches)
|
|
|
|
| 724 |
if new_passed['MatchedNames'] != ['-']:
|
| 725 |
for idx,patt in enumerate(new_passed['MatchedAtoms']):
|
| 726 |
st.code(new_passed['MatchedNames'][idx])
|
| 727 |
+
drawer = rdMolDraw2D.MolDraw2DSVG(200,200)
|
| 728 |
# drawer.drawOptions().fillHighlights = False
|
| 729 |
matches = sum(patt, ())
|
| 730 |
drawer.DrawMolecule(mol, highlightAtoms=matches)
|