Class steric_clash_data_set
Report.data_set --+
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Report.steric_clash_data_set
Class to compute and hold data for Steric Clashes.
Data point descriptor is atoms involved, values are
"Distance", "Min Allowed", "Delta".
Summary is N/A
See parent class data_set for additional documenation
within_three_bonds(self,
parent,
iatom,
target_atom)
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Method to determine whether two atoms are within three bonds of each
other.
- Parameters:
parent (Report object) - The Report object that this is foriatom (int) - atom number of first atomtarget_atom (int) - atom number of the second atom - Returns: bool
- True if atoms are within 3 bonds of each other, False if not
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compute and store the data for this class
- Parameters:
parent (l{report} object) - the report object that this is for - Overrides:
data_set.analyze
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