PEATSA/WebApp/JobSubmission.py
def CreateCalculationString(calculations, ligandFile):
	
	'''Creates the calculation parts of the command line arguments bassed on the calculations list'''
	
	calculationString = ""
	if calculations.count('scan') != 0:
		calculationString = calculationString + "--scan "
	
	if calculations.count('stability') != 0:
		calculationString = calculationString + " --stability"
		
	if ligandFile is not None and calculations.count('binding') != 0:
		calculationString = calculationString + " --ligand=%s" % ligandFile
		
	return calculationString
Creates the calculation parts of the command line arguments bassed on the calculations list
Creates the calculation parts of the command line arguments bassed on the calculations list
Creates the calculation parts of the command line arguments bassed on the calculations list
def CreateCalculationString(calculations, ligandFile):
	calculationString = ""
	if calculations.count('scan') != 0:
		calculationString = calculationString + "--scan "
	if calculations.count('stability') != 0:
		calculationString = calculationString + " --stability"
	if ligandFile is not None and calculations.count('binding') != 0:
		calculationString = calculationString + " --ligand=%s" % ligandFile
	return calculationString
def CreateCalculationString ( calculations , ligandFile ) : calculationString = "" if calculations . count ( 'scan' ) != 0 : calculationString = calculationString + "--scan " if calculations . count ( 'stability' ) != 0 : calculationString = calculationString + " --stability" if ligandFile is not None and calculations . count ( 'binding' ) != 0 : calculationString = calculationString + " --ligand=%s" % ligandFile return calculationString
Creates the calculation parts of the command line arguments bassed on the calculations list
Creates the calculation parts of the command line arguments bassed on the calculations list
'''Creates the calculation parts of the command line arguments bassed on the calculations list'''
calculations
ligandFile