def buildChainMenu(self,event=None):
if not hasattr(self,'chainVar'): self.chainVar={}
if not hasattr(self,'oldchainVar'): self.oldchainVar={}
chMols = MoleculeSet([])
if len(self.molSet):
chMols=MoleculeSet(filter(lambda x: Chain in x.levels, self.molSet))
chainIDList = []
if len(chMols):
chains=chMols.findType(Chain)
if chains==None: return
for i in chains:
chainIDList.append(i.full_name())
self.buildMenu(self.chainMB,chainIDList,self.chainVar,self.oldchainVar,self.getChainVal)
def buildChainMenu(self, event=None):
if not hasattr(self, 'chainVar'): self.chainVar = {}
if not hasattr(self, 'oldchainVar'): self.oldchainVar = {}
chMols = MoleculeSet([])
if len(self.molSet):
chMols = MoleculeSet(
filter(lambda x: Chain in x.levels, self.molSet))
chainIDList = []
if len(chMols):
chains = chMols.findType(Chain)
if chains == None: return
for i in chains:
chainIDList.append(i.full_name())
self.buildMenu(self.chainMB, chainIDList, self.chainVar,
self.oldchainVar, self.getChainVal)
def go(self):
msgStr = None
if self.moleculeSet:
self.molSet = self.getMolecules(self.moleculeSet, self.selList[0])
else:
self.molSet = None
return []
# return [], msgStr
# SPLIT here if mol.children==Atoms
# possibly: self.Mols4levels=filter(lambda x: x.childrenSetClass == ChainSet, self.molSet)
# then process the others separately....?????????
# eg self.Mols2levels=filter(lambda x: x.childrenSetClass == AtomSet, self.molSet)
# self.Mols2levels would get fed to self.getAtoms and two results ???merged???
if not self.molSet:
self.chainSet = None
msgStr = str(self.selList[0]) + " selected no molecules"
return []
# return [], msgStr
noChainMols = MoleculeSet(
[x for x in self.molSet if Chain not in x.levels])
haveChainMols = MoleculeSet(
[x for x in self.molSet if Chain in x.levels])
# build the residues belonging to molecules w/ no Chains (!WEIRD!)
ncrs = ResidueSet()
for item in noChainMols:
if Residue in item.levels:
itemRes = item.allAtoms.parent.uniq()
ncrs = ncrs + itemRes
if ncrs:
noChainResSet = self.getResidues(ncrs, self.selList[2])
if not noChainResSet: noChainResSet = ResidueSet()
else:
noChainResSet = ResidueSet()
if len(haveChainMols):
self.chainSet = self.getChains(haveChainMols.findType(Chain),
self.selList[1])
if self.chainSet:
haveChainResSet = self.getResidues(self.chainSet.findType(Residue),
self.selList[2])
# also test noChainMols for residues
if haveChainResSet:
self.resSet = haveChainResSet + noChainResSet
else:
self.resSet = noChainResSet
else:
self.resSet = noChainResSet
##don't return unless selList[2]!==['']
if self.selList[1] != ['']:
msgStr = str(self.selList[1]) + " selected no chains"
return []
# return [], msgStr
# now: if self.selList for Chain and Residue level was empty, get the Atoms from noChains
if self.selList[1] == [''] and self.selList[2] == ['']:
tla = AtomSet()
for item in noChainMols:
if Residue not in item.levels:
tla = tla + item.allAtoms
twoLevelAtoms = tla
else:
twoLevelAtoms = AtomSet()
if self.resSet:
resAts = self.resSet.findType(Atom)
if twoLevelAtoms: resAts = resAts + twoLevelAtoms
self.atomSet = self.getAtoms(resAts, self.selList[3])
else:
if self.selList[2] != ['']:
msgStr = str(self.selList[2]) + " selected no residues"
return []
# return [], msgStr
else:
self.atomSet = self.getAtoms(twoLevelAtoms, self.selList[3])
selNodes = self.atomSet
# find correct levelType to return
# need to split atomSet into two parts:
if self.atomSet:
haveChainAtoms = AtomSet(
[x for x in self.atomSet if x.top != x.parent])
haveNoChainAtoms = self.atomSet - haveChainAtoms
if self.selList[3] == ['']:
# change atoms to residues
if haveChainAtoms:
selNodes = haveChainAtoms.parent.uniq()
else:
selNodes = ResidueSet()
if self.selList[2] == ['']:
# change residues to chains
if len(selNodes):
selNodes = selNodes.parent.uniq()
if self.selList[1] == ['']:
# change chains to molecules
if haveNoChainAtoms:
noChainTops = haveNoChainAtoms.top.uniq()
else:
noChainTops = ProteinSet()
if selNodes:
selTops = selNodes.top.uniq()
else:
selTops = ProteinSet()
selNodes = selTops + noChainTops
if self.selList[0] == ['']:
# change molecules to molecules(?)in the case of no strs
if selNodes.__class__ != MoleculeSet:
selNodes = MoleculeSet(selNodes.top.uniq())
else:
msgStr = str(self.selList[3]) + " selected no atoms"
for item in ['moleculeSet', 'molSet', 'chainSet', 'resSet', 'atomSet']:
if hasattr(self, item):
delattr(self, item)
# exec('del self.'+item)
return selNodes
def go(self):
msgStr = None
if self.moleculeSet:
self.molSet = self.getMolecules(self.moleculeSet, self.selList[0])
else:
self.molSet = None
return []
#return [], msgStr
#SPLIT here if mol.children==Atoms
#possibly: self.Mols4levels=filter(lambda x: x.childrenSetClass == ChainSet, self.molSet)
#then process the others separately....?????????
#eg self.Mols2levels=filter(lambda x: x.childrenSetClass == AtomSet, self.molSet)
#self.Mols2levels would get fed to self.getAtoms and two results ???merged???
if not self.molSet:
self.chainSet = None
msgStr = str(self.selList[0])+ " selected no molecules"
return []
#return [], msgStr
noChainMols=MoleculeSet(filter(lambda x: Chain not in x.levels, self.molSet))
haveChainMols=MoleculeSet(filter(lambda x: Chain in x.levels, self.molSet))
#build the residues belonging to molecules w/ no Chains (!WEIRD!)
ncrs=ResidueSet()
for item in noChainMols:
if Residue in item.levels:
itemRes=item.allAtoms.parent.uniq()
ncrs= ncrs + itemRes
if ncrs:
noChainResSet=self.getResidues(ncrs,self.selList[2])
if not noChainResSet: noChainResSet=ResidueSet()
else:
noChainResSet=ResidueSet()
if len(haveChainMols):
self.chainSet = self.getChains(haveChainMols.findType(Chain), self.selList[1])
if self.chainSet:
haveChainResSet=self.getResidues(self.chainSet.findType(Residue), self.selList[2])
#also test noChainMols for residues
if haveChainResSet:
self.resSet=haveChainResSet+noChainResSet
else:
self.resSet = noChainResSet
else:
self.resSet = noChainResSet
##don't return unless selList[2]!==['']
if self.selList[1]!=['']:
msgStr = str(self.selList[1])+ " selected no chains"
return []
#return [], msgStr
#now: if self.selList for Chain and Residue level was empty, get the Atoms from noChains
if self.selList[1]==[''] and self.selList[2]==['']:
tla=AtomSet()
for item in noChainMols:
if Residue not in item.levels:
tla=tla + item.allAtoms
twoLevelAtoms = tla
else:
twoLevelAtoms=AtomSet()
if self.resSet:
resAts=self.resSet.findType(Atom)
if twoLevelAtoms:resAts=resAts+twoLevelAtoms
self.atomSet = self.getAtoms(resAts, self.selList[3])
else:
if self.selList[2]!=['']:
msgStr = str(self.selList[2])+ " selected no residues"
return []
#return [], msgStr
else: self.atomSet = self.getAtoms(twoLevelAtoms, self.selList[3])
selNodes = self.atomSet
#find correct levelType to return
#need to split atomSet into two parts:
if self.atomSet:
haveChainAtoms = AtomSet(filter(lambda x: x.top!=x.parent,self.atomSet))
haveNoChainAtoms=self.atomSet-haveChainAtoms
if self.selList[3]==['']:
#change atoms to residues
if haveChainAtoms: selNodes = haveChainAtoms.parent.uniq()
else: selNodes=ResidueSet()
if self.selList[2]==['']:
#change residues to chains
if len(selNodes):
selNodes = selNodes.parent.uniq()
if self.selList[1]==['']:
#change chains to molecules
if haveNoChainAtoms: noChainTops=haveNoChainAtoms.top.uniq()
else: noChainTops=ProteinSet()
if selNodes: selTops= selNodes.top.uniq()
else: selTops=ProteinSet()
selNodes = selTops+noChainTops
if self.selList[0]==['']:
#change molecules to molecules(?)in the case of no strs
if selNodes.__class__!=MoleculeSet:
selNodes = MoleculeSet(selNodes.top.uniq())
else:
msgStr = str(self.selList[3])+ " selected no atoms"
for item in ['moleculeSet','molSet','chainSet','resSet','atomSet']:
if hasattr(self, item):
delattr(self, item)
# exec('del self.'+item)
return selNodes
