elif not args.target and (args.nsteps and args.stepsize):
stepsize = args.stepsize
nsteps = args.nsteps
else:
sys.stderr.write('\nShould not be here, something went wrong :(\n\n')
sys.exit()
#print nsteps, stepsize
new_modred.append(ModRed('B %d %d S %d %.4f\n' % (i, j, nsteps, stepsize)))
if args.Bfreeze:
for i, j in args.Bfreeze:
new_modred.append(ModRed('B %d %d F\n' % (i, j)))
gc.modreds = new_modred
#gc.additional_input_dict['modred'] = [m.line for m in new_modred]
# add modred to opt in route_section if necessary
gc.route_section.keywords['opt'].set('modred')
# write new file
output = increment_gaucom_name(args.COM)
if not exists(output):
gc.write_to_file(output)
print '%s' % output
else:
sys.stderr.write('%s already exists... not doing anything\n' % output)
#print args
elif not args.target and (args.nsteps and args.stepsize):
stepsize = args.stepsize
nsteps = args.nsteps
else:
sys.stderr.write('\nShould not be here, something went wrong :(\n\n')
sys.exit()
#print nsteps, stepsize
new_modred.append(ModRed('B %d %d S %d %.4f\n' % (i,j,nsteps,stepsize)))
if args.Bfreeze:
for i,j in args.Bfreeze:
new_modred.append(ModRed('B %d %d F\n' % (i,j)))
gc.modreds = new_modred
#gc.additional_input_dict['modred'] = [m.line for m in new_modred]
# add modred to opt in route_section if necessary
gc.route_section.keywords['opt'].set('modred')
# write new file
output = increment_gaucom_name(args.COM)
if not exists(output):
gc.write_to_file(output)
print '%s' % output
else:
sys.stderr.write('%s already exists... not doing anything\n' % output)
#print args
