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src/m/a/matter-0.8-r960-20110308/examples/storeBigStructure.py   matter(Download)
orm = OrmManager(db)
 
from matter.Atom import Atom
from matter.Lattice import Lattice
from matter.orm.BigStructure import Structure
 
at1 = Atom('C', [0.333333333333333, 0.666666666666667, 0])
at2 = Atom('C', [0.666666666666667, 0.333333333333333, 0])

src/m/a/matter-0.8-r960-20110308/matter/orm/BigStructure.py   matter(Download)
def __restoreFromInventory__(self, inventory):
    atoms=[]
    from matter.Atom import Atom
    from matter.Lattice import Lattice
    for symbol,pos in zip(inventory.atom_symbols, inventory.atom_positions):
        atoms.append(Atom(symbol, pos))

src/m/a/matter-0.8-r960-20110308/matter/Skeleton.py   matter(Download)
def A(name, index, type = None):
    from matter.Atom import Atom
    #hack--sometimes 'name' contains element and sometimes 'type'
    if len(name)<3:
        return Atom(name)
    if len(type)<3:
        return Atom(type)

src/m/a/matter-0.8-r960-20110308/matter/orm/Atom.py   matter(Download)
 
# the data object
from matter.Atom import Atom
 
# dsaw.model helpers

src/m/a/matter-0.8-r960-20110308/matter/__init__.py   matter(Download)
import atomic_properties
from matter.StructureErrors import StructureFormatError,LatticeError,SymmetryError,IsotropyError
from matter.Atom import Atom
from matter.Lattice import Lattice
from matter.Structure import Structure

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):
    def test1(self):
        'Structure: property "primitive_unitcell"'
        lattice = Lattice(a=2,b=2,c=2,alpha=90,beta=90,gamma=90)
        atoms = [
            Atom('Ni', (0,0,0)),
            Atom('Ni', (0,0.5,0.5)),
            Atom('Ni', (0.5,0,0.5)),
            Atom('Ni', (0.5,0.5,0)),

src/m/a/matter-0.8-r960-20110308/tests/TestSuperCell.py   matter(Download)
from matter import Structure
from matter.Lattice import Lattice
from matter.Atom import  Atom
from matter.expansion import supercell
 
    def test_al_supercell(self):
        """check supercell expansion for Al.
        """       
        at1 = Atom('Al', [0.0, 0.0, 0.0])
        at2 = Atom('Al', [0.0, 0.5, 0.5])
        at3 = Atom('Al', [0.5, 0.0, 0.5])
        at4 = Atom('Al', [0.5, 0.5, 0.0])

src/m/a/matter-0.8-r960-20110308/tests/TestStructure.py   matter(Download)
from matter.Structure import Structure
from matter.Lattice import Lattice
from matter.Atom import Atom#, StructureFormatError
 
##############################################################################
    def setUp(self):
#        at1 = Atom('C', [0.333333333333333, 0.666666666666667, 0])
#        at2 = Atom('C', [0.666666666666667, 0.333333333333333, 0])
        at1 = Atom('C', [0, 0, 0])
        at2 = Atom('C', [1, 1, 1])
        self.stru3.read(ciffile)
 
        at1 = Atom('Al', [0.0, 0.0, 0.0])
        at2 = Atom('Al', [0.0, 0.5, 0.5])
        at3 = Atom('Al', [0.5, 0.0, 0.5])