#include <FragCatalogEntry.h>
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| FragCatalogEntry () |
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| FragCatalogEntry (const ROMol *omol, const PATH_TYPE &path, const MatchVectType &aidToFid) |
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| FragCatalogEntry (const std::string &pickle) |
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| ~FragCatalogEntry () |
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std::string | getDescription () const |
| returns a text description of this entry More...
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void | setDescription (const std::string &val) |
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void | setDescription (const FragCatParams *params) |
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bool | match (const FragCatalogEntry *other, double tol) const |
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Subgraphs::DiscrimTuple | getDiscrims () const |
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unsigned int | getOrder () const |
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const INT_INT_VECT_MAP & | getFuncGroupMap () const |
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std::string | getSmarts () |
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template<typename T > |
void | setProp (const char *key, T &val) const |
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template<typename T > |
void | setProp (const std::string &key, T &val) const |
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void | setProp (const char *key, int val) const |
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void | setProp (const std::string &key, int val) const |
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void | setProp (const char *key, float val) const |
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void | setProp (const std::string &key, float val) const |
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void | setProp (const std::string &key, std::string &val) const |
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template<typename T > |
void | getProp (const char *key, T &res) const |
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template<typename T > |
void | getProp (const std::string &key, T &res) const |
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bool | hasProp (const char *key) const |
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bool | hasProp (const std::string &key) const |
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void | clearProp (const char *key) const |
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void | clearProp (const std::string &key) const |
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void | toStream (std::ostream &ss) const |
| serializes (pickles) to a stream More...
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std::string | Serialize () const |
| returns a string with a serialized (pickled) representation More...
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void | initFromStream (std::istream &ss) |
| initializes from a stream pickle More...
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void | initFromString (const std::string &text) |
| initializes from a string pickle More...
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virtual | ~CatalogEntry ()=0 |
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void | setBitId (int bid) |
| sets our bit Id More...
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int | getBitId () const |
| returns our bit Id More...
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Definition at line 27 of file FragCatalogEntry.h.
◆ FragCatalogEntry() [1/3]
RDKit::FragCatalogEntry::FragCatalogEntry |
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inline |
◆ FragCatalogEntry() [2/3]
◆ FragCatalogEntry() [3/3]
RDKit::FragCatalogEntry::FragCatalogEntry |
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const std::string & |
pickle | ) |
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◆ ~FragCatalogEntry()
RDKit::FragCatalogEntry::~FragCatalogEntry |
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inline |
◆ clearProp() [1/2]
void RDKit::FragCatalogEntry::clearProp |
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const char * |
key | ) |
const |
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inline |
◆ clearProp() [2/2]
void RDKit::FragCatalogEntry::clearProp |
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const std::string & |
key | ) |
const |
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inline |
◆ getDescription()
std::string RDKit::FragCatalogEntry::getDescription |
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| ) |
const |
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inlinevirtual |
◆ getDiscrims()
◆ getFuncGroupMap()
◆ getOrder()
unsigned int RDKit::FragCatalogEntry::getOrder |
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const |
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inline |
◆ getProp() [1/2]
template<typename T >
void RDKit::FragCatalogEntry::getProp |
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const char * |
key, |
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T & |
res |
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) |
| const |
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inline |
◆ getProp() [2/2]
template<typename T >
void RDKit::FragCatalogEntry::getProp |
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const std::string & |
key, |
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T & |
res |
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) |
| const |
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inline |
◆ getSmarts()
std::string RDKit::FragCatalogEntry::getSmarts |
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inline |
◆ hasProp() [1/2]
bool RDKit::FragCatalogEntry::hasProp |
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const char * |
key | ) |
const |
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inline |
◆ hasProp() [2/2]
bool RDKit::FragCatalogEntry::hasProp |
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const std::string & |
key | ) |
const |
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inline |
◆ initFromStream()
void RDKit::FragCatalogEntry::initFromStream |
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std::istream & |
ss | ) |
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virtual |
◆ initFromString()
void RDKit::FragCatalogEntry::initFromString |
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const std::string & |
text | ) |
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virtual |
◆ match()
bool RDKit::FragCatalogEntry::match |
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const FragCatalogEntry * |
other, |
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double |
tol |
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) |
| const |
◆ Serialize()
std::string RDKit::FragCatalogEntry::Serialize |
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const |
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virtual |
◆ setDescription() [1/2]
void RDKit::FragCatalogEntry::setDescription |
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const std::string & |
val | ) |
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inline |
◆ setDescription() [2/2]
void RDKit::FragCatalogEntry::setDescription |
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const FragCatParams * |
params | ) |
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◆ setProp() [1/7]
template<typename T >
void RDKit::FragCatalogEntry::setProp |
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const char * |
key, |
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T & |
val |
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) |
| const |
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inline |
◆ setProp() [2/7]
template<typename T >
void RDKit::FragCatalogEntry::setProp |
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const std::string & |
key, |
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T & |
val |
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) |
| const |
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inline |
◆ setProp() [3/7]
void RDKit::FragCatalogEntry::setProp |
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const char * |
key, |
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int |
val |
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) |
| const |
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inline |
◆ setProp() [4/7]
void RDKit::FragCatalogEntry::setProp |
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const std::string & |
key, |
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int |
val |
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) |
| const |
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inline |
◆ setProp() [5/7]
void RDKit::FragCatalogEntry::setProp |
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const char * |
key, |
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float |
val |
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) |
| const |
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inline |
◆ setProp() [6/7]
void RDKit::FragCatalogEntry::setProp |
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const std::string & |
key, |
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float |
val |
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) |
| const |
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inline |
◆ setProp() [7/7]
void RDKit::FragCatalogEntry::setProp |
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const std::string & |
key, |
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std::string & |
val |
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) |
| const |
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inline |
◆ toStream()
void RDKit::FragCatalogEntry::toStream |
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std::ostream & |
ss | ) |
const |
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virtual |
The documentation for this class was generated from the following file: