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

Class CrystalSystems

object --+
         |
        CrystalSystems

Manage the properties of the seven crystal systems.

Nested Classes

[hide private]

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

[hide private]

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

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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 '...

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

NO_CONSTRAINTS = 'no constraints'

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

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

[hide private]

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 != alp
ha'