Transform.h File Reference

#include "rxdock/support/Export.h"
#include <string>

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Functions
RBTDLL_EXPORT int	rxdock::operation::transform (std::string inputSDFile, std::string outputSDFile, bool limitedRecPerMolecule, std::size_t maxNumRecPerMolecule, bool checkName, std::string name, bool checkData, std::string dataFieldName, std::string dataValue, bool changeName, std::string newName, std::size_t bufferSize, bool doSorting, std::string sortDataField, bool limitedRecords, std::size_t maxNumRecords)
	Transforms structure-data file (SDF) according to your requirements.

Detailed Description

Transform operation.