def openProject(path, status):
p = Project.open(path, status)
if p is None:
return None
if p.molecule is None:
return None
p.molecule.mergeResonances(append=False)
return p
def test_openSaveProject():
assert theProject is not None
theProject.created = io.Time(10.0) # silly date
# this will test the save routines
assert theProject.save() == False
# this will test the restore routines
p = Project.open(TEST,constants.PROJECT_OLD)
assert p is not None
assert p.created == 10.0
def setup_DummyProject():
global theProject
os.chdir(cdefs.cingDefinitions.tmpdir)
print('Now in %s' % cdefs.cingDefinitions.tmpdir)
theProject = Project.new(TEST)
# create a molecule
mol = molecule.Molecule(TEST)
theProject.appendMolecule(mol)
c = mol.addChain('A')
c.addResidue('ALA', 1, Nterminal = True)
c.addResidue('VAL', 2)
c.addResidue('PHE', 3)
c.addResidue('ARG', 4)
c.addResidue('GLU', 5, Cterminal = True)
c = mol.addChain('B')
c.addResidue('DG', 1, Nterminal = True)
c.addResidue('DA', 2)
c.addResidue('DT', 3)
c.addResidue('DC', 4, Cterminal = True)
c = mol.addChain('C')
c.addResidue('RGUA', 1, convention=constants.INTERNAL_0, Nterminal = True)
c.addResidue('RADE', 2, convention=constants.INTERNAL_0)
c.addResidue('URA', 3, convention=constants.INTERNAL_0) # not RTHY normally of course.
c.addResidue('RTHY', 4, convention=constants.INTERNAL_0)
c.addResidue('RCYT', 5, convention=constants.INTERNAL_0, Cterminal = True)
c = mol.addChain('D')
for i in range(1,11):
c.addResidue('HOH', i )
# end for
c = mol.addChain('E') # Unknown residue to CING
c.addResidue('ACE', 1)
c = mol.addChain('F') # Ions are also other
c.addResidue('CA2P', 1)
for residue in mol.allResidues():
residue.addAllAtoms()
# end for
mol.updateAll()
io.message('{0}\n',mol.format())
def test_projectNotPresent():
print('Forced error:')
theProject = Project.open('notPresent',Project.PROJECT_OLD)
assert theProject is None
