示例#1
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def test_sortOnEmptySet():
    """
    Testing the sort method on a empty set
    """
    from MolKit.tree import TreeNodeSet
    set = TreeNodeSet([])
    set.sort()
    del set
示例#2
0
def test_sortOnEmptySet():
    """
    Testing the sort method on a empty set
    """
    from MolKit.tree import TreeNodeSet
    set = TreeNodeSet([])
    set.sort()
    del set
示例#3
0
    def get(self, event=None):
        if not self.lb.curselection():
            res = []
        else:
            res = TreeNodeSet()
        for ent in map(int, self.lb.curselection()):
            mol = self.nameObject[self.entries[ent][0]]
            res.append(mol)

        if self.mode == 'single' and res:
            res = res[0]

        return res
    def get(self, event = None):
        if not self.lb.curselection():
            res = []
        else:
            res = TreeNodeSet()
        for ent in map( int, self.lb.curselection() ):
            mol= self.nameObject[self.entries[ ent ][0]]
            res.append(mol)

        if self.mode=='single' and res:
            res = res[0]

        return res
    def doit(self, nodes, filename):
        self.log(nodes, filename)

        if type(nodes)==types.StringType:
            nodes = self.vf.Mols.NodesFromName(nodes)
        
        assert isinstance(nodes,TreeNode) or isinstance(nodes,TreeNodeSet)
        if isinstance(nodes,TreeNode):
            nodes = TreeNodeSet([nodes])

        if len(nodes)==0: return
        atoms = nodes.findType( Atom )
        molecules = atoms.top.uniq()

        for mol in molecules:
	    self.writeCMsurface(mol, '%s.%s.m'%(filename, mol.name))
示例#6
0
    def doit(self, nodes, filename):
        self.log(nodes, filename)

        if type(nodes) == types.StringType:
            nodes = self.vf.Mols.NodesFromName(nodes)

        assert isinstance(nodes, TreeNode) or isinstance(nodes, TreeNodeSet)
        if isinstance(nodes, TreeNode):
            nodes = TreeNodeSet([nodes])

        if len(nodes) == 0: return
        atoms = nodes.findType(Atom)
        molecules = atoms.top.uniq()

        for mol in molecules:
            self.writeCMsurface(mol, '%s.%s.m' % (filename, mol.name))
 def __init__(self, objects=None, stringRepr=None, comments='', keywords=[]):
     TreeNodeSet.__init__(self, objects, SecondaryStructure, stringRepr, 
                             comments, keywords)
 def __init__(self, objects=None, stringRepr=None, comments="", keywords=[]):
     TreeNodeSet.__init__(self, objects, Residue, stringRepr, comments, keywords)