<reponame>mscook/pyParaTools<filename>tests/test_ParaParser.py
import sys


sys.path.append("/home/mscook/Desktop/PhD/Projects/pyParaTools")

from ParaParser import *

print 80*'-'
print " Testing ParaParser.py"
print 80*'-'

#python test_ParaParser.py pcs ~/Desktop/PREfit_python/TESTDATA/PDB/m0.pdb ~/Desktop/PREfit_python/TESTDATA/PCS/EXPERIMENTAL/LeucineZipper_3.0YbDPA3.npc 1 1 1 30 10 90 90 90
###pcs1 = PCSParser(sys.argv)
###print  pcs1.getNumModels()
###pcs1.doParse()
###print pcs1.getParsed()

#

#pre1 = PREParser(sys.argv)
#pre1.doParse()
#print pre1.getParsed()
#

rdc_in = ['PROTOCOL_NAME', 'rdc', 'STRUCTURES/epsilon.pdb',
'DATASETS/RDC/epsilon.rdc', '-23.0', '37.0', '60.0', '26.0', '230.0']
rdc = RDCParser(rdc_in)
rdc.doParse()
tp =  rdc.getTensorParams()
print tp
a = rdc.getParsed()
print len(a)
print a[0]


import sys


sys.path.append("/home/mscook/Desktop/PhD/Projects/pyParaTools")

from ParaParser import *

print 80*'-'
print " Testing ParaParser.py"
print 80*'-'

#python test_ParaParser.py pcs ~/Desktop/PREfit_python/TESTDATA/PDB/m0.pdb ~/Desktop/PREfit_python/TESTDATA/PCS/EXPERIMENTAL/LeucineZipper_3.0YbDPA3.npc 1 1 1 30 10 90 90 90
###pcs1 = PCSParser(sys.argv)
###print  pcs1.getNumModels()
###pcs1.doParse()
###print pcs1.getParsed()

#

#pre1 = PREParser(sys.argv)
#pre1.doParse()
#print pre1.getParsed()
#

rdc_in = ['PROTOCOL_NAME', 'rdc', 'STRUCTURES/epsilon.pdb',
'DATASETS/RDC/epsilon.rdc', '-23.0', '37.0', '60.0', '26.0', '230.0']
rdc = RDCParser(rdc_in)
rdc.doParse()
tp =  rdc.getTensorParams()
print tp
a = rdc.getParsed()
print len(a)
print a[0]
#python test_ParaParser.py pcs ~/Desktop/PREfit_python/TESTDATA/PDB/m0.pdb ~/Desktop/PREfit_python/TESTDATA/PCS/EXPERIMENTAL/LeucineZipper_3.0YbDPA3.npc 1 1 1 30 10 90 90 90 ###pcs1 = PCSParser(sys.argv) ###print  pcs1.getNumModels() ###pcs1.doParse() ###print pcs1.getParsed() # #pre1 = PREParser(sys.argv) #pre1.doParse() #print pre1.getParsed() #