// -*- C++ -*- /* * GChemPaint arrows plugin * retrosynthesisstep.h * * Copyright (C) 2005 Jean Bréfort * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU General Public License as * published by the Free Software Foundation; either version 2 of the * License, or (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 * USA */ #ifndef GCHEMPAINT_RETROSYNTHESIS_STEP_H #define GCHEMPAINT_RETROSYNTHESIS_STEP_H #include using namespace std; using namespace gcu; extern TypeId RetrosynthesisStepType; class gcpRetrosynthesis; class gcpRetrosynthesisArrow; class gcpMolecule; class gcpRetrosynthesisStep: public Object { public: gcpRetrosynthesisStep(); virtual ~gcpRetrosynthesisStep(); gcpRetrosynthesisStep (gcpRetrosynthesis *synthesis, gcpMolecule *molecule) throw (std::invalid_argument); virtual double GetYAlign (); virtual bool Load(xmlNodePtr); virtual bool OnSignal (SignalId Signal, Object *Child); void AddArrow (gcpRetrosynthesisArrow *arrow, gcpRetrosynthesisStep *step, bool start) throw (std::invalid_argument); bool Validate () {return Arrow != NULL || Arrows.size () > 0;} map *GetArrows () {return &Arrows;} gcpRetrosynthesisArrow const *GetArrow () {return Arrow;} void RemoveArrow (gcpRetrosynthesisArrow *arrow, gcpRetrosynthesisStep *step); private: gcpMolecule *Molecule; gcpRetrosynthesisArrow *Arrow; gcpRetrosynthesisStep *Precursor; map Arrows; }; #endif // GCHEMPAINT_RETROSYNTHESIS_STEP_H