MarvinDefs.h File Reference

#include <GraphMol/RDKitBase.h>
#include <GraphMol/FileParsers/FileParsers.h>
#include <GraphMol/FileParsers/MolSGroupParsing.h>
#include <RDGeneral/FileParseException.h>
#include <RDGeneral/BadFileException.h>
#include <RDGeneral/LocaleSwitcher.h>
#include <RDGeneral/BoostStartInclude.h>
#include <boost/property_tree/ptree.hpp>
#include <boost/property_tree/xml_parser.hpp>
#include <boost/foreach.hpp>
#include <boost/algorithm/string.hpp>
#include <RDGeneral/BoostEndInclude.h>
#include <float.h>

Go to the source code of this file.

Classes
class	RDKit::MarvinWriterException
class	RDKit::MarvinArrow
class	RDKit::MarvinPlus
class	RDKit::MarvinCondition
class	RDKit::MarvinAttachmentPoint
class	RDKit::MarvinAtom
class	RDKit::MarvinBondStereo
class	RDKit::MarvinBond
class	RDKit::MarvinRectangle
class	RDKit::MarvinMolBase
class	RDKit::MarvinSruCoModSgroup
class	RDKit::MarvinDataSgroup
class	RDKit::MarvinSuperatomSgroupExpanded
class	RDKit::MarvinMultipleSgroup
class	RDKit::MarvinMulticenterSgroup
class	RDKit::MarvinGenericSgroup
class	RDKit::MarvinMonomerSgroup
class	RDKit::MarvinSuperatomSgroup
class	RDKit::MarvinMol
class	RDKit::MarvinReaction
class	RDKit::MarvinStereoGroup

Namespaces
namespace	RDKit
	Std stuff.

Enumerations
enum	RDKit::IsSgroupInAtomSetResult { RDKit::SgroupInAtomSet , RDKit::SgroupNotInAtomSet , RDKit::SgroupBothInAndNotInAtomSet }

Functions
template<typename T >
std::vector< std::unique_ptr< T > >::iterator	RDKit::findUniquePtr (std::vector< std ::unique_ptr< T > > &vector, T *itemToFind)
template<typename T >
void	RDKit::eraseUniquePtr (std::vector< std ::unique_ptr< T > > &vector, T *itemToErase)
template<typename T >
bool	RDKit::getCleanNumber (std::string strToParse, T &outInt)

Variables
const std::vector< std::string >	RDKit::sruSgroupConnectChoices {"hh", "ht", "eu"}
const std::vector< std::string >	RDKit::marvinBondOrders {"1", "2", "3", "A"}
const std::vector< std::string >	RDKit::marvinQueryBondsTypes {"SD", "SA", "DA", "Any"}
const std::vector< std::string >	RDKit::marvinConventionTypes {"cxn:coord"}
const std::vector< std::string >	RDKit::marvinStereoDictRefTypes {"cml:W", "cml:H"}
const std::vector< std::string >	RDKit::marvinStereoConventionTypes {"1", "3", "4", "6"}
const std::vector< std::string >	RDKit::marvinRadicalVals
const std::map< std::string, int >	RDKit::marvinRadicalToRadicalElectrons
const std::map< int, std::string >	RDKit::radicalElectronsToMarvinRadical