Skip to content

Commit

Permalink
Changed some function names
Browse files Browse the repository at this point in the history
  • Loading branch information
ffangliu committed Jan 2, 2022
1 parent d9a7783 commit 492efdf
Showing 1 changed file with 6 additions and 6 deletions.
12 changes: 6 additions & 6 deletions autosolvate/GUI/tk_autosolvate.py
Original file line number Diff line number Diff line change
Expand Up @@ -404,7 +404,7 @@ def set_gaussiandir():
self.irow += 1

### Sanity check to make sure that all required buttons are set
def GUI_input_sanity_check():
def GUI_input_fact_check():
boxgen_error =0
if self.xyzfile.get() =="":
print("Solute molecule xyz file must be provided!")
Expand Down Expand Up @@ -464,7 +464,7 @@ def write_boxgen_input():

# Execute python command to run autosolvate
def execute():
boxgen_error = GUI_input_sanity_check()
boxgen_error = GUI_input_fact_check()
if boxgen_error == 0:
cmd = write_boxgen_input()
res = "Congratulations! AutoSolvate command generated: \n" + cmd
Expand Down Expand Up @@ -1133,7 +1133,7 @@ def set_QMMMNVESteps():

self.irow += 1

def GUI_input_sanity_check():
def GUI_input_fact_check():
mdrun_error =0
print("### Start MDrun input option fact check ###")
if self.prefix.get() =="":
Expand Down Expand Up @@ -1178,7 +1178,7 @@ def write_mdrun_input():

### Execute python command to generate MD input files and jobscripts
def execute():
mdrun_error = GUI_input_sanity_check()
mdrun_error = GUI_input_fact_check()
if mdrun_error == 0:
cmd = write_mdrun_input()
res = "Congratulations! MDrun command line generated: \n" + cmd
Expand Down Expand Up @@ -1407,7 +1407,7 @@ def set_ShellSize():

self.irow += 1

def GUI_input_sanity_check():
def GUI_input_fact_check():
clustergen_error =0
print("### Start ClusterGen input option fact check ###")
if self.prmtop.get() =="":
Expand Down Expand Up @@ -1438,7 +1438,7 @@ def write_clustergen_input():
return cmd

def execute():
clustergen_error = GUI_input_sanity_check()
clustergen_error = GUI_input_fact_check()
if clustergen_error == 0:
cmd = write_clustergen_input()
res = "Congratulations! ClusterGen command line generated: \n" + cmd
Expand Down

0 comments on commit 492efdf

Please sign in to comment.