Checker Class Reference

#include <model_check.hh>

Public Member Functions
	Checker (CompoundLibPtr lib, const mol::EntityHandle &ent, DiagEngine &diags)
void	CheckForUnknownAtoms ()
void	CheckForCompleteness (bool require_hydrogens=false)
void	CheckForNonStandard ()
mol::AtomHandleList	GetHydrogens ()
mol::AtomHandleList	GetZeroOccupancy ()
const std::vector< Diag * > &	GetDiags () const

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Detailed Description

Definition at line 9 of file model_check.hh.

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Constructor & Destructor Documentation

Checker ( CompoundLibPtr  lib, const mol::EntityHandle &  ent, DiagEngine &  diags  )

inline

Definition at line 11 of file model_check.hh.

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Member Function Documentation

void CheckForCompleteness

(

bool

require_hydrogens = false

)

void CheckForNonStandard

(

)

void CheckForUnknownAtoms

(

)

const std::vector<Diag*>& GetDiags ( ) const

inline

Definition at line 21 of file model_check.hh.

mol::AtomHandleList GetHydrogens

(

)

mol::AtomHandleList GetZeroOccupancy

(

)

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

• stage/include/ost/conop/model_check.hh