igashov commited on
Commit
6264fac
1 Parent(s): f58a645
Files changed (1) hide show
  1. app.py +14 -3
app.py CHANGED
@@ -91,6 +91,13 @@ def show_input(input_file):
91
  return output.IFRAME_TEMPLATE.format(html=html)
92
 
93
 
 
 
 
 
 
 
 
94
  def generate(input_file):
95
  if input_file is None:
96
  return ''
@@ -152,7 +159,6 @@ def generate(input_file):
152
  out_xyz = f'results/output_{i+1}_{name}_.xyz'
153
  out_sdf = f'results/output_{i+1}_{name}_.sdf'
154
  subprocess.run(f'obabel {out_xyz} -O {out_sdf}', shell=True)
155
- out_files.append(out_xyz)
156
  out_files.append(out_sdf)
157
  print('Converted to SDF')
158
 
@@ -167,7 +173,7 @@ def generate(input_file):
167
  )
168
  return [
169
  output.IFRAME_TEMPLATE.format(html=html),
170
- [inp_sdf, inp_xyz] + out_files,
171
  gr.Radio.update(
172
  choices=['Sample 1', 'Sample 2', 'Sample 3', 'Sample 4', 'Sample 5'],
173
  value='Sample 1',
@@ -197,8 +203,8 @@ with demo:
197
  output_files = gr.File(file_count='multiple', label='Output Files')
198
  with gr.Column():
199
  gr.Markdown('## Visualization')
200
- samples = gr.Radio(interactive=True, type='index', label='Samples')
201
  visualization = gr.HTML()
 
202
 
203
  input_file.change(
204
  fn=show_input,
@@ -215,5 +221,10 @@ with demo:
215
  inputs=[examples],
216
  outputs=[input_file, visualization]
217
  )
 
 
 
 
 
218
 
219
  demo.launch(server_name=args.ip)
 
91
  return output.IFRAME_TEMPLATE.format(html=html)
92
 
93
 
94
+ def draw_sample(idx, output_files):
95
+ print(idx)
96
+ print(output_files)
97
+ print(output_files[0].name)
98
+ return
99
+
100
+
101
  def generate(input_file):
102
  if input_file is None:
103
  return ''
 
159
  out_xyz = f'results/output_{i+1}_{name}_.xyz'
160
  out_sdf = f'results/output_{i+1}_{name}_.sdf'
161
  subprocess.run(f'obabel {out_xyz} -O {out_sdf}', shell=True)
 
162
  out_files.append(out_sdf)
163
  print('Converted to SDF')
164
 
 
173
  )
174
  return [
175
  output.IFRAME_TEMPLATE.format(html=html),
176
+ [inp_sdf] + out_files,
177
  gr.Radio.update(
178
  choices=['Sample 1', 'Sample 2', 'Sample 3', 'Sample 4', 'Sample 5'],
179
  value='Sample 1',
 
203
  output_files = gr.File(file_count='multiple', label='Output Files')
204
  with gr.Column():
205
  gr.Markdown('## Visualization')
 
206
  visualization = gr.HTML()
207
+ samples = gr.Radio(interactive=True, type='index', label='Samples')
208
 
209
  input_file.change(
210
  fn=show_input,
 
221
  inputs=[examples],
222
  outputs=[input_file, visualization]
223
  )
224
+ samples.change(
225
+ fn=draw_sample,
226
+ inputs=[samples, output_files],
227
+ outputs=[],
228
+ )
229
 
230
  demo.launch(server_name=args.ip)