MolCatalogParams.h
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//
// Copyright (C) 2006 Greg Landrum
//
#ifndef _RD_MOL_CATALOG_PARAMS_H_
#define _RD_MOL_CATALOG_PARAMS_H_
#include <Catalogs/CatalogParams.h>
#include <string>
#include <iostream>
namespace RDKit {
//! container for user parameters used to create a mol catalog
class MolCatalogParams : public RDCatalog::CatalogParams {
public:
MolCatalogParams() { d_typeStr = "MolCatalog Parameters"; }
~MolCatalogParams();
//! copy constructor
MolCatalogParams(const MolCatalogParams &other) {
d_typeStr = other.d_typeStr;
}
//! construct from a pickle string (serialized representation)
MolCatalogParams(const std::string &pickle);
//! serializes to the stream
void toStream(std::ostream &) const;
//! returns a serialized (pickled) form
std::string Serialize() const;
//! initialize from a stream containing a pickle
void initFromStream(std::istream &ss);
//! initialize from a string containing a pickle
void initFromString(const std::string &text);
};
}
#endif
RDKit::MolCatalogParams::initFromStream
void initFromStream(std::istream &ss)
initialize from a stream containing a pickle
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams(const MolCatalogParams &other)
copy constructor
Definition: MolCatalogParams.h:21
RDCatalog::CatalogParams::d_typeStr
std::string d_typeStr
our type string
Definition: CatalogParams.h:37
RDKit::MolCatalogParams::toStream
void toStream(std::ostream &) const
serializes to the stream
RDKit::MolCatalogParams::~MolCatalogParams
~MolCatalogParams()
RDKit
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
RDKit::MolCatalogParams::initFromString
void initFromString(const std::string &text)
initialize from a string containing a pickle
RDKit::MolCatalogParams
container for user parameters used to create a mol catalog
Definition: MolCatalogParams.h:14
RDKit::MolCatalogParams::Serialize
std::string Serialize() const
returns a serialized (pickled) form
CatalogParams.h
RDKit::MolCatalogParams::MolCatalogParams
MolCatalogParams()
Definition: MolCatalogParams.h:16
RDCatalog::CatalogParams
abstract base class for the container used to create a catalog
Definition: CatalogParams.h:17