guid:
|
www.ccpn.ac.uk_Fogh_2006-08-16-14:22:52_00014
|
isImplicit:
|
False
|
Tag
|
Value
|
repositoryId
|
$Id: ChemAtomSet.xml,v 1.57 2011-01-13 14:40:33 rhfogh Exp $
|
Tag
|
Value
|
repositoryTag
|
$Name: not supported by cvs2svn $
|
Special constructor code:
|
None
|
Special destructor code:
|
None
|
Constraint name:
|
all_chemAtoms_must_be_same_chemElement
|
Constraint code:
|
ll = [self]
elements = set()
for x in ll:
ll.extend(x.chemAtomSets)
for z in x.chemAtoms:
elements.add(z.elementSymbol)
isValid = (len(elements) == 1)
|
Constraint name:
|
chemAtomSet_has_chemAtoms_xor_chemAtomSets
|
Constraint code:
|
(not self.chemAtoms) != (not self.chemAtomSets)
|
Constraint name:
|
nested_chemAtomSets_cannot_be_equivalent
|
Constraint code:
|
self.chemAtoms or not self.isEquivalent
|
Constraint name:
|
prochirals_are_not_equivalent
|
Constraint code:
|
not (self.isProchiral and self.isEquivalent != False)
|
Constraint name:
|
prochirals_must_be_pairs
|
Constraint code:
|
not self.isProchiral or len(self.chemAtoms) == 2 or len(self.chemAtomSets) == 2
|
Known inward one-way links:
|
ccp.api.molecule.ChemComp.ChemCompVar.chemAtomSets,
ccpnmr.api.Analysis.AtomSetMapping.chemAtomSet
|