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2017-2 Schrodinger Python API
Package schrodinger :: Package application :: Package jaguar :: Package gui :: Package tabs :: Module coordinates :: Class CoordinateData
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Class CoordinateData

object --+
         |
        CoordinateData
Known Subclasses:

This class is a base class for constraint and scan coordinate classes. It should not(!) be initialized by itself.

Instance Methods [hide private]
 
__init__(self, st, atoms, coordinate_type)
Initialize coordinates data given a structure, set of atom indices and coordinate type.
 
validate(self)
This function checks that atom indices contain correct number of elements for a given coordinate type.
str
_getCoordinateName(self)
This function returns coordinate name, which is constructed from the atom names.
str
_getAtomName(self, atom)
This function converts an atom index into an atom name.

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

Class Variables [hide private]
object COLUMN
class that contains information about columns in which coordinates data is displayed.
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
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, st, atoms, coordinate_type)
(Constructor)

 

Initialize coordinates data given a structure, set of atom indices and coordinate type. We apply the jaguar naming scheme to the structure.

Parameters:
Overrides: object.__init__

validate(self)

 

This function checks that atom indices contain correct number of elements for a given coordinate type. If thats not the case ValueError exception is raised.

_getCoordinateName(self)

 

This function returns coordinate name, which is constructed from the atom names.

Returns: str
coordinate name

_getAtomName(self, atom)

 

This function converts an atom index into an atom name.

Parameters:
  • atom (int) - atom index
Returns: str
atom name

Class Variable Details [hide private]

COLUMN

class that contains information about columns in which coordinates data is displayed. It should contain NAMES variable for column names and indices of columns. This object needs to be initialize in derived classes.
Type:
object

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2017-2 Schrodinger Python API
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