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src/m/a/matter-0.8-r960-20110308/matter/Skeleton.py   matter(Download)
def c(*args):
    from matter.Structure import Structure
    return Structure(lattice=args[0], atoms=args[1])
 
#class C(Composite):

src/m/a/matter-0.8-r960-20110308/tests/TestPrimitiveCell.py   matter(Download)
import unittest
from matter.Atom import Atom
from matter.Lattice import Lattice
from matter.Structure import Structure
class TestCase(unittest.TestCase):
            Atom('Ni', (0.5,0.5,0)),
            ]
        struct = Structure(lattice=lattice, atoms=atoms, sgid=225)
        print struct.primitive_unitcell
        return
            Atom('Ni', (0.5,0.5,0)),
            ]
        struct = Structure(lattice=lattice, atoms=atoms, sgid=225)
        verdict, pos, op = struct.symConsistent()
        self.assert_(verdict)
            Atom('Ni', (0.5,0.5,0)),
            ]
        struct = Structure(lattice=lattice, atoms=atoms, sgid=225)
        verdict, pos, op = struct.symConsistent()
        print verdict, pos, op
            Atom('Ni', (0.5,0.5,0)),
            ]
        struct = Structure(lattice=lattice, atoms=atoms, sgid=225)
        verdict, pos, op = struct.symConsistent()
        print verdict, pos, op

src/m/a/matter-0.8-r960-20110308/tests/TestStructure.py   matter(Download)
 
sys.path.insert(0,os.path.abspath('..'))# this should put the source code first on the path
from matter.Structure import Structure
from matter.Lattice import Lattice
from matter.Atom import Atom#, StructureFormatError
        at1 = Atom('C', [0, 0, 0])
        at2 = Atom('C', [1, 1, 1])
        self.stru = Structure( [ at1, at2], lattice=Lattice(1, 1, 1, 90, 90, 120) )
 
        ciffile = os.path.join(testdata_dir, 'PbTe.cif')
        self.stru2 = Structure()
        self.stru2.read(ciffile)
 
        ciffile = os.path.join(testdata_dir, 'graphite.cif')
        self.stru3 = Structure()
        at3 = Atom('Al', [0.5, 0.0, 0.5])
        at4 = Atom('Al', [0.5, 0.5, 0.0])
        self.stru4 = Structure( [ at1, at2, at3, at4], 
                               lattice=Lattice(4.05, 4.05, 4.05, 90, 90, 90),
                               sgid = 225 )

src/m/a/matter-0.8-r960-20110308/matter/orm/Structure.py   matter(Download)
from Lattice import Lattice
from UnitCell import UnitCell
from matter.Structure import Structure
 
 

src/m/a/matter-0.8-r960-20110308/matter/orm/BigStructure.py   matter(Download)
 
# data object
from matter.Structure import Structure
 
 

src/m/a/matter-0.8-r960-20110308/matter/__init__.py   matter(Download)
from matter.Atom import Atom
from matter.Lattice import Lattice
from matter.Structure import Structure
 
#def atom(**kwds):

src/m/a/matter-0.8-r960-20110308/tests/TestStructure2.py   matter(Download)
 
sys.path.insert(0,os.path.abspath('..'))# this should put the source code first on the path
from matter.Structure import Structure
 
##############################################################################
    def setUp(self):
 
        xyzfile = os.path.join(testdata_dir, 'scf3.xyz')
        self.stru = Structure()
        self.stru.read(xyzfile)
        #print self.stru5
 
        file = os.path.join(testdata_dir, 'Pb.cif')
        self.stru2 = Structure()