add tmap plot code

Truman-Xu · Truman-Xu · commit d73b101e12c8 · 2021-04-21T12:23:44.000-04:00
diff --git a/sampledock/SnD/tmap_plotter.py b/sampledock/SnD/tmap_plotter.py
@@ -94,6 +94,8 @@ def df_to_faerun(df,x,y,s,t):
         )
     # The first character of the name has to be a letter!
     f.add_tree("SnD_Tree", {"from": s, "to": t}, point_helper="SampleDock")
+    f.plot("SampleDock"+'_space', # name of the .html file
+       template="smiles")
     print('Plotting finished')
     return f
     

Original file line number	Diff line number	Diff line change
`@@ -94,6 +94,8 @@ def df_to_faerun(df,x,y,s,t):`
`94`	`94`	`)`
`95`	`95`	`# The first character of the name has to be a letter!`
`96`	`96`	`f.add_tree("SnD_Tree", {"from": s, "to": t}, point_helper="SampleDock")`
	`97`	`+ f.plot("SampleDock"+'_space', # name of the .html file`
	`98`	`+ template="smiles")`
`97`	`99`	`print('Plotting finished')`
`98`	`100`	`return f`
`99`	`101`