RuleBasedProcessor Class Reference

#include <rule_based.hh>

Inherits ost::conop::Processor.

Public Member Functions

 RuleBasedProcessor (CompoundLibPtr compound_lib)
 RuleBasedProcessor (CompoundLibPtr compound_lib, bool fe, bool sh, ConopAction ur, ConopAction ua, bool bf, bool at, bool cn, bool aa, ConopAction zo)
ConopAction GetUnkResidueTreatment () const
ConopAction GetUnkAtomTreatment () const
bool GetFixElement () const
void SetFixElement (bool flag)
bool GetStrictHydrogens () const
void SetStrictHydrogens (bool flag)
void SetUnkResidueTreatment (ConopAction action)
void SetUnkAtomTreatment (ConopAction action)
virtual ProcessorPtr Copy () const
virtual String ToString () const

Protected Member Functions

void ProcessUnkResidue (DiagnosticsPtr diags, mol::ResidueHandle res, mol::AtomHandleList &remaining) const
void ProcessUnkAtoms (DiagnosticsPtr diags, mol::ResidueHandle res, mol::AtomHandleList unks, mol::AtomHandleList &remaining) const
virtual void DoProcess (DiagnosticsPtr diags, mol::EntityHandle ent) const

Detailed Description

Definition at line 37 of file rule_based.hh.


Constructor & Destructor Documentation

RuleBasedProcessor ( CompoundLibPtr  compound_lib  )  [inline]

Definition at line 39 of file rule_based.hh.

RuleBasedProcessor ( CompoundLibPtr  compound_lib,
bool  fe,
bool  sh,
ConopAction  ur,
ConopAction  ua,
bool  bf,
bool  at,
bool  cn,
bool  aa,
ConopAction  zo 
) [inline]

Definition at line 45 of file rule_based.hh.


Member Function Documentation

virtual ProcessorPtr Copy (  )  const [inline, virtual]

Implements Processor.

Definition at line 78 of file rule_based.hh.

virtual void DoProcess ( DiagnosticsPtr  diags,
mol::EntityHandle  ent 
) const [protected, virtual]

Implements Processor.

bool GetFixElement (  )  const [inline]

Definition at line 58 of file rule_based.hh.

bool GetStrictHydrogens (  )  const [inline]

Definition at line 64 of file rule_based.hh.

ConopAction GetUnkAtomTreatment (  )  const [inline]

Definition at line 54 of file rule_based.hh.

ConopAction GetUnkResidueTreatment (  )  const [inline]

Definition at line 50 of file rule_based.hh.

void ProcessUnkAtoms ( DiagnosticsPtr  diags,
mol::ResidueHandle  res,
mol::AtomHandleList  unks,
mol::AtomHandleList remaining 
) const [protected]
void ProcessUnkResidue ( DiagnosticsPtr  diags,
mol::ResidueHandle  res,
mol::AtomHandleList remaining 
) const [protected]
void SetFixElement ( bool  flag  )  [inline]

Definition at line 61 of file rule_based.hh.

void SetStrictHydrogens ( bool  flag  )  [inline]

Definition at line 68 of file rule_based.hh.

void SetUnkAtomTreatment ( ConopAction  action  )  [inline]

Definition at line 75 of file rule_based.hh.

void SetUnkResidueTreatment ( ConopAction  action  )  [inline]

Definition at line 71 of file rule_based.hh.

virtual String ToString (  )  const [virtual]

Implements Processor.


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