schrodinger.application.matsci.nano.check module¶
Classes and functions for checking nanostructure input.
Copyright Schrodinger, LLC. All rights reserved.
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class
schrodinger.application.matsci.nano.check.
CheckInput
[source]¶ Bases:
object
Check user input.
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DEFAULTMSG
= '\n You have specified a value for flag %s that is not supported. Values\n must be %s. Proceeding with the default value of %s.'¶
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MIDFIX
= '-'¶
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checkIndicies
(nindex, mindex, logger=None)[source]¶ Check n-index and m-index.
- Parameters
nindex (int) – the first chiral index
mindex (int) – the second chiral index
logger (logging.getLogger) – output logger
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checkNumCells
(ncells, logger=None)[source]¶ Check the number of unit cells.
- Parameters
ncells (int) – the number of unit cells
logger (logging.getLogger) – output logger
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checkUpToIndex
(up_to_nindex, up_to_mindex, logger=None)[source]¶ 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
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checkNumWalls
(nwalls, logger=None)[source]¶ Check the number of walls.
- Parameters
nwalls (int) – the number of walls
logger (logging.getLogger) – output logger
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checkWallSep
(wallsep, logger=None)[source]¶ Check the desired wall separation.
- Parameters
wallsep (float) – wall separation in Angstrom
logger (logging.getLogger) – output logger
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