Public Member Functions | Data Fields

Input Class Reference

Public Member Functions

def __init__
def __str__
def printInputFiles
def dumpPickle

Data Fields

 pqrpath
 asyncflag
 elecs
 pqrname
 prints

Detailed Description

    The input class.  Each input object is one APBS input file.

Definition at line 185 of file inputgen.py.


Constructor & Destructor Documentation

def __init__ (   self,
  pqrpath,
  size,
  method,
  asyncflag,
  istrng = 0,
  potdx = 0 
)
    Initialize the input file class.  Each input file contains
    a PQR name, a list of elec objects, and a list of strings
    containing print statements.  For starters assume two
    ELEC statements are needed, one for the inhomgenous and
    the other for the homogenous dielectric calculations.

    Users can edit the elec statements and the print statements.

    This assumes you have already run psize, either by
 size.runPsize(/path/to/pqr) or

 size.parseString(string)
 size.setAll()

    Parameters
pqrpath:   The path to the PQR file (string)
size:      The Psize object (psize)
method:    The method (para, auto, manual, async) to use
asyncflag: 1 if async is desired, 0 otherwise

Definition at line 190 of file inputgen.py.


Member Function Documentation

def __str__ (   self )
    Return the text of the input file

Definition at line 235 of file inputgen.py.

def dumpPickle (   self )
    Make a Python pickle associated with the APBS input parameters

Definition at line 286 of file inputgen.py.

def printInputFiles (   self )
    Make the input file(s) associated with this object

Definition at line 249 of file inputgen.py.


The documentation for this class was generated from the following file: