Package schrodinger :: Package application :: Package matsci :: Package nano :: Module check :: Class CheckInput

Class CheckInput

object --+
         |
        CheckInput

Known Subclasses:

Check user input.

Instance Methods

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checkElements(self, element1, element2, logger=None)

checkBondlength(self, bondlength, logger=None)

checkEdgetypes(self, edgetype1, edgetype2, logger=None)

checkCellDims(self, ncell1, ncell2, logger=None)

checkTermFrag(self, termfrag, logger=None)

checkBilayerSep(self, bilayersep, logger=None)

checkNumBilayers(self, nbilayers, logger=None)

checkBilayerStackType(self, stacktype, logger=None)

checkBilayerShift(self, bilayershift, logger=None)

checkIndicies(self, nindex, mindex, logger=None)
Check n-index and m-index.

checkNumCells(self, ncells, logger=None)
Check the number of unit cells.

checkUpToIndex(self, up_to_nindex, up_to_mindex, logger=None)
Check the enumeration options.

checkNumWalls(self, nwalls, logger=None)
Check the number of walls.

checkWallSep(self, wallsep, logger=None)
Check the desired wall separation.

str

checkMaeExt(self, infile)
Check that the infile has a supported Maestro extension.

str

checkExistingFile(self, infile)
Check if the infile already exists and find a new name if it does.

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

Class Variables

[hide private]

DEFAULTMSG = '\n You have specified a value for flag %s...

MIDFIX = '-'

Properties

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Inherited from object: __class__

Method Details

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checkIndicies(self, nindex, mindex, logger=None)

Check n-index and m-index.

Parameters:

nindex (int) - the first chiral index
mindex (int) - the second chiral index
logger (logging.getLogger) - output logger

checkNumCells(self, ncells, logger=None)

Check the number of unit cells.

Parameters:

ncells (int) - the number of unit cells
logger (logging.getLogger) - output logger

checkUpToIndex(self, up_to_nindex, up_to_mindex, logger=None)

Check the enumeration options.

Parameters:

up_to_nindex (bool) - enumerate on the n-index
up_to_mindex (bool) - enumerate on the m-index
logger (logging.getLogger) - output logger

checkNumWalls(self, nwalls, logger=None)

Check the number of walls.

Parameters:

nwalls (int) - the number of walls
logger (logging.getLogger) - output logger

checkWallSep(self, wallsep, logger=None)

Check the desired wall separation.

Parameters:

wallsep (float) - wall separation in Angstrom
logger (logging.getLogger) - output logger

checkMaeExt(self, infile)

Check that the infile has a supported Maestro extension.

Parameters:

infile (str) - file name to check

Returns: str

outfile, if infile is bad return its basename plus constants.DEFAULT_MAE_EXT

checkExistingFile(self, infile)

Check if the infile already exists and find a new name if it does.

Parameters:

infile (str) - file name to check

Returns: str

outfile, if infile is bad return new file name

Class Variable Details

[hide private]

DEFAULTMSG

Value:

'''
        You have specified a value for flag %s that is not supported. 
 Values
        must be %s.  Proceeding with the default value of %s.'''