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- '''
- Created on Aug 20, 2012
- @author: esben
- '''
- from ScanInfo import ScanInfo
- if __name__ == '__main__':
- # Read .in python file
- f = open("../data/testing.in", "r")
- line = f.readline()
- lcoord = 0 # no. of locked distances
- locked = []
- scans = []
- while line != "":
- if "&zvar" in line:
- print "zvar section found, noting coordinates to scan"
- line = f.readline()
- while not "&" in line:
- scans.append(line.split()[0])
- line = f.readline()
- line = f.readline()
- if "&coord" in line:
- print "coord section found"
- # count lines in coord section
- line = f.readline()
- while not "&" in line:
- lcoord += 1
- line = f.readline()
- info = ScanInfo()
- info.attatchInfo("hej")
- info.printInfo()
- # Determine what atoms and and what length/no. of scans must be performed in the &coord section
- # Initialize array of length combinations that must be scanned
- '''
- Start loop that checks availability of run jaguar jobs.
- If the input argument file to RecursiveJagScan is a 01.in file
- the first event is to generate structure one "scan" within
- distance.
- '''
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