Package schrodinger :: Package application :: Package matsci :: Package nano :: Module xtal :: Class CrystalSystems

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Class CrystalSystems

object --+
         |
        CrystalSystems

Manage the properties of the seven crystal systems.

Nested Classes

Triclinic
Manage the triclinic system.

Monoclinic
Manage the monoclinic system.

Orthorhombic
Manage the orthorhombic system.

Tetragonal
Manage the tetragonal system.

Trigonal
Manage the trigonal system.

Hexagonal
Manage the hexagonal system.

Cubic
Manage the cubic system.

Instance Methods

one of the seven crystal system objects

getCrystalSystem(self, name)
Return the crystal system object for the crystem system of the provided name.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __init__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables

TRICLINIC_NAME = 'triclinic'

MONOCLINIC_NAME = 'monoclinic'

ORTHORHOMBIC_NAME = 'orthorhombic'

TETRAGONAL_NAME = 'Tetragonal'

TRIGONAL_NAME = 'trigonal'

HEXAGONAL_NAME = 'hexagonal'

CUBIC_NAME = 'cubic'

LENGTHS_ONE_UNIQUE = 'a = b = c'

LENGTHS_TWO_UNIQUE = 'a = b != c'

LENGTHS_THREE_UNIQUE = 'a != b != c != a'

ANGLES_ONE_UNIQUE = '90 degrees = alpha = beta = gamma'

ANGLES_ONE_UNIQUE_NOT_RIGHT = '90 degrees != alpha = beta = ga...

ANGLES_TWO_UNIQUE = '90 degrees = alpha = beta != gamma'

ANGLES_TWO_UNIQUE_HEXAGONAL = '90 degrees = alpha = beta and 1...

ANGLES_THREE_UNIQUE = '90 degrees != alpha, beta, gamma and al...

NO_CONSTRAINTS = 'no constraints'

Properties

Inherited from object: __class__

Method Details

getCrystalSystem(self, name)

Return the crystal system object for the crystem system of the provided name.

Parameters:

name (str) - crystal system name

Returns: one of the seven crystal system objects

crystal_system_obj

Class Variable Details

ANGLES_ONE_UNIQUE_NOT_RIGHT

Value:

'90 degrees != alpha = beta = gamma'

ANGLES_TWO_UNIQUE_HEXAGONAL

Value:

'90 degrees = alpha = beta and 120 degrees = gamma'

ANGLES_THREE_UNIQUE

Value:

'90 degrees != alpha, beta, gamma and alpha != beta != gamma != alpha'