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2015-3 Schrodinger Python API
Package schrodinger :: Package application :: Package matsci :: Package nano :: Module surfaces_interfaces_mod :: Class Interfaces
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Class Interfaces

object --+
         |
        Interfaces

Manage the enumeration of interfaces.

Instance Methods [hide private]
 
__init__(self, ref_surfaces, ads_surfaces, interface_kwargs=None, logger=None)
Create an instance.
 
logParams(self)
Log the parameters.
interface_mod.Interface
getInterface(self, ref_surface, ads_surface)
Build and return a interface_mod.Interface.
list of interface_mod.Interface
getInterfaces(self)
Build and return the interface_mod.Interface objects for all interfaces.
 
writeInterfaces(self, file_name)
Write interfaces to a Maestro file with the given file name.
 
runIt(self)
Create the interfaces.

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

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, ref_surfaces, ads_surfaces, interface_kwargs=None, logger=None)
(Constructor)

 

Create an instance.

Parameters:
  • ref_surfaces (list of schrodinger.structure.Structure) - reference surface ASUs from which interfaces will be created
  • ads_surfaces (list of schrodinger.structure.Structure) - adsorption surface ASUs from which interfaces will be created
  • interface_kwargs (None or dict) - kwargs for the interface builds or None if there are none in which case the defaults will be used
  • logger (logging.Logger or None) - output logger or None if there isn't one
Overrides: object.__init__

getInterface(self, ref_surface, ads_surface)

 

Build and return a interface_mod.Interface.

Parameters:
Returns: interface_mod.Interface
the interface object

getInterfaces(self)

 

Build and return the interface_mod.Interface objects for all interfaces.

Returns: list of interface_mod.Interface
contains interface objects

writeInterfaces(self, file_name)

 

Write interfaces to a Maestro file with the given file name.

Parameters:
  • file_name (str) - file name of the Maestro file

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2015-3 Schrodinger Python API
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