/**************************************************************************** * Copyright (C) 2009-2015 EPAM Systems * * This file is part of Indigo toolkit. * * This file may be distributed and/or modified under the terms of the * GNU General Public License version 3 as published by the Free Software * Foundation and appearing in the file LICENSE.GPL included in the * packaging of this file. * * This file is provided AS IS with NO WARRANTY OF ANY KIND, INCLUDING THE * WARRANTY OF DESIGN, MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. ***************************************************************************/ #ifndef __render_internal_h__ #define __render_internal_h__ #include "render_common.h" namespace indigo { class RenderContext; class MoleculeRenderInternal { public: MoleculeRenderInternal (const RenderOptions& opt, const RenderSettings& settings, RenderContext& cw); void setMolecule (BaseMolecule* mol); void setIsRFragment (bool isRFragment); void setScaleFactor (const float scaleFactor, const Vec2f& min, const Vec2f& max); void render (); void setReactionComponentProperties (const Array* aam, const Array* reactingCenters, const Array* inversions); void setQueryReactionComponentProperties (const Array* exactChanges); DECL_ERROR; private: enum STEREOGROUPS_MODE {STEREOGROUPS_SHOW, STEREOGROUPS_HIDE}; struct LocalOptions { STEREOGROUPS_MODE stereoMode; }; BondEnd& _be (int beid); const BondEnd& _be (int beid) const; BondDescr& _bd (int bid); const BondDescr& _bd (int bid) const; AtomDesc& _ad (int aid); const AtomDesc& _ad (int aid) const; void _checkSettings (); void _extendRenderItem (RenderItem& item, const float extent); bool _clipRaySegment (float& offset, const Vec2f& p, const Vec2f& d, const Vec2f& n0, const Vec2f& a, const Vec2f& b, const float w); bool _clipRayBox (float& offset, const Vec2f& p, const Vec2f& d, const Vec2f& rp, const Vec2f& sz, const float w); void _findMinMax(); void _objCoordTransform(Vec2f& p, const Vec2f& v) const; void _objDistTransform(Vec2f& p, const Vec2f& v) const; void _initCoordinates(); void _determineDoubleBondShift(); void _determineStereoGroupsMode(); static const char* _getStereoGroupText (int type); bool _ringHasSelfIntersectionsSimple(const Ring& ring); bool _ringHasSelfIntersections(const Ring& ring); void _findRings(); void _prepareLabels(); void _rotateHalfCenteredBonds(); bool _isSingleHighlighted (int aid); bool _vertexIsHighlighted (int aid); bool _edgeIsHighlighted (int bid); bool _hasQueryModifiers (int aid); void _findNearbyAtoms(); void _initHydroPos(int aid); int _hydroPosFindConflict(int i); bool _hydroPosCorrectGreedy (); void _hydroPosCorrectRepulse (); void _initAtomData(); void _initRGroups(); void _loadBrackets(Sgroup& sg, const Array& coord, bool transformCoordinates); void _placeBrackets(Sgroup& sg, const Array& atoms); void _positionIndex(Sgroup& sg, int ti, bool lower); void _loadBracketsAuto(const SGroup& group, Sgroup& sg); void _initDataSGroups(); void _initSruGroups(); void _initMulGroups(); void _initSupGroups(); void _prepareSGroups(); void _findAnglesOverPi(); void _renderBondIds(); void _renderAtomIds(); void _renderEmptyRFragment(); void _renderLabels(); void _renderRings(); void _renderSGroups (); void _setHighlightOpt(); void _resetHighlightOpt(); void _renderBonds(); void _applyBondOffset(); void _setBondCenter (); float _getBondOffset (int aid, const Vec2f& pos, const Vec2f& dir, const float bondWidth); void _calculateBondOffset(); void _findNeighbors(); void _findCenteredCase(); void _initBondData(); void _initBondEndData(); void _initBoldStereoBonds(); void _extendRenderItems(); BondEnd& _getBondEnd(int aid, int nei); int _getBondEndIdx (int aid, int nei); int _getOpposite (int beid) const; void _drawAtom (const AtomDesc& desc); void _writeQueryAtomToString (Output& output, int aid); bool _writeDelimiter (bool needDelimiter, Output &output); void _writeQueryModifier (Output& output, int aid); int _findClosestCircle (Vec2f& p, int aid, float radius, int skip = -1); int _findClosestBox (Vec2f& p, int aid, const Vec2f& sz, float mrg, int skip = -1); void _preparePseudoAtom (int aid, int color, bool highlighted); void _prepareLabelText (int aid); void _prepareAAM (); int _pushTextItem (RenderItem::TYPE type, int color, bool highlighted); int _pushTextItem (AtomDesc& ad, RenderItem::TYPE type, int color, bool highlighted); int _pushTextItem (Sgroup& sg, RenderItem::TYPE ritype, int color = CWC_BASE); int _pushGraphItem (RenderItem::TYPE type, int color, bool highlighted); int _pushGraphItem (AtomDesc& ad, RenderItem::TYPE type, int color, bool highlighted); int _pushGraphItem (Sgroup& ad, RenderItem::TYPE type, int color = CWC_BASE); const char* _valenceText (const int valence); float _ctghalf (float cs); void _drawBond (int b); void _drawTopology (BondDescr& bd); void _drawReactingCenter (BondDescr& bd, int rc); float _doubleBondShiftValue (const BondEnd& be, bool right, bool centered); void _prepareDoubleBondCoords (Vec2f* coord, BondDescr& bd, const BondEnd& be1, const BondEnd& be2, bool allowCentered); void _drawStereoCareBox (BondDescr& bd, const BondEnd& be1, const BondEnd& be2); double _getAdjustmentFactor (const int aid, const int anei, const double acos, const double asin, const double tgb, const double csb, const double snb, const double len, const double w, double& csg, double& sng); void _adjustAngle (Vec2f& l, const BondEnd& be1, const BondEnd& be2, bool left); void _bondBoldStereo (BondDescr& bd, const BondEnd& be1, const BondEnd& be2); void _bondSingle (BondDescr& bd, const BondEnd& be1, const BondEnd& be2); void _bondDouble (BondDescr& bd, const BondEnd& be1, const BondEnd& be2); void _bondSingleOrAromatic (BondDescr& bd, const BondEnd& be1, const BondEnd& be2); void _bondDoubleOrAromatic (BondDescr& bd, const BondEnd& be1, const BondEnd& be2); void _bondSingleOrDouble (BondDescr& bd, const BondEnd& be1, const BondEnd& be2); void _bondAromatic (BondDescr& bd, const BondEnd& be1, const BondEnd& be2); void _bondTriple (BondDescr& bd, const BondEnd& be1, const BondEnd& be2); void _bondAny (BondDescr& bd, const BondEnd& be1, const BondEnd& be2); int _parseColorString (Scanner& str, float& r, float& g, float& b); // local void* _hdc; BaseMolecule* _mol; RenderContext& _cw; float _scale; Vec2f _min, _max; LocalOptions _lopt; bool isRFragment; const RenderSettings& _settings; const RenderOptions& _opt; CP_DECL; TL_CP_DECL(MoleculeRenderData, _data); TL_CP_DECL(Array, _atomMapping); TL_CP_DECL(Array, _atomMappingInv); TL_CP_DECL(BaseMolecule::Mapping, _bondMappingInv); }; } #endif //__render_internal_h__