Class ConstraintCoordinateData

                object --+    
                         |    
coordinates.CoordinateData --+
                             |
                            ConstraintCoordinateData

This class stores all data for a single constraint coordinate.

Instance Methods

[hide private]

__init__(self, st, atoms, coordinate_type, target_value=None)
Initialize coordinates data given a structure, set of atom indices and coordinate type.

Inherited from coordinates.CoordinateData: validate

Inherited from coordinates.CoordinateData (private): _getAtomName, _getCoordinateName

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

Class Variables

[hide private]

Inherited from coordinates.CoordinateData: COLUMN

Instance Variables

[hide private]

list

atom_indices
indices of atoms, which define this coordinate

str

coordinate_name
name of this coordinate based on atom indices

int

coordinate_type
coordinate type

schrodinger.structure.Structure

st
ct structure for which coordinates are defined

float

target_value
target value of this coordinate

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, st, atoms, coordinate_type, target_value=None)
(Constructor)

Initialize coordinates data given a structure, set of atom indices and coordinate type.

Parameters:

st (schrodinger.structure.Structure) - structure
atoms (list) - atom indices
coordinate_type (int) - coordinate type
target_value (float) - target coordinate value

Overrides: object.__init__

Class ConstraintCoordinateData

__init__(self, st, atoms, coordinate_type, target_value=None) (Constructor)

init(self, st, atoms, coordinate_type, target_value=None)
(Constructor)