OpenStructure
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#include <model_check.hh>
Public Member Functions | |
Checker (CompoundLibPtr lib, const mol::EntityHandle &ent, Diagnostics &diags) | |
void | CheckForUnknownAtoms () |
void | CheckForCompleteness (bool require_hydrogens=false) |
void | CheckForNonStandard () |
mol::AtomHandleList | GetHydrogens () |
mol::AtomHandleList | GetZeroOccupancy () |
Definition at line 9 of file model_check.hh.
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inline |
Definition at line 11 of file model_check.hh.
void CheckForCompleteness | ( | bool | require_hydrogens = false | ) |
void CheckForNonStandard | ( | ) |
void CheckForUnknownAtoms | ( | ) |
mol::AtomHandleList GetHydrogens | ( | ) |
mol::AtomHandleList GetZeroOccupancy | ( | ) |