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RDKit
Open-source cheminformatics and machine learning.
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The Dict
class can be used to store objects of arbitrary type keyed by strings
.
More...
#include <Dict.h>
Classes | |
struct | Pair |
Public Types | |
typedef std::vector< Pair > | DataType |
Public Member Functions | |
Dict () | |
Dict (const Dict &other) | |
~Dict () | |
void | update (const Dict &other, bool preserveExisting=false) |
Dict & | operator= (const Dict &other) |
const DataType & | getData () const |
Access to the underlying data. More... | |
DataType & | getData () |
bool | hasVal (const std::string &what) const |
Returns whether or not the dictionary contains a particular key. More... | |
STR_VECT | keys () const |
Returns the set of keys in the dictionary. More... | |
template<typename T > | |
void | getVal (const std::string &what, T &res) const |
Gets the value associated with a particular key. More... | |
template<typename T > | |
T | getVal (const std::string &what) const |
void | getVal (const std::string &what, std::string &res) const |
template<typename T > | |
bool | getValIfPresent (const std::string &what, T &res) const |
Potentially gets the value associated with a particular key returns true on success/false on failure. More... | |
bool | getValIfPresent (const std::string &what, std::string &res) const |
template<typename T > | |
void | setVal (const std::string &what, T &val) |
Sets the value associated with a key. More... | |
template<typename T > | |
void | setPODVal (const std::string &what, T val) |
void | setVal (const std::string &what, bool val) |
void | setVal (const std::string &what, double val) |
void | setVal (const std::string &what, float val) |
void | setVal (const std::string &what, int val) |
void | setVal (const std::string &what, unsigned int val) |
void | setVal (const std::string &what, const char *val) |
void | clearVal (const std::string &what) |
Clears the value associated with a particular key, removing the key from the dictionary. More... | |
void | reset () |
Clears all keys (and values) from the dictionary. More... | |
The Dict
class can be used to store objects of arbitrary type keyed by strings
.
The actual storage is done using RDValue
objects.
typedef std::vector<Pair> RDKit::Dict::DataType |
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Definition at line 50 of file Dict.h.
References RDKit::copy_rdvalue(), and RDKit::Dict::Pair::val.
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Clears the value associated with a particular key, removing the key from the dictionary.
what | the key to clear |
Notes:
what
, a KeyErrorException will be thrown. Definition at line 266 of file Dict.h.
References RDKit::RDValue::cleanup_rdvalue().
Referenced by RDKit::RDProps::clearComputedProps(), RDKit::MolCatalogEntry::clearProp(), RDKit::FragCatalogEntry::clearProp(), RDKit::RDProps::clearProp(), and RDKit::FilterCatalogEntry::clearProp().
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Access to the underlying data.
Definition at line 110 of file Dict.h.
Referenced by RDKit::streamReadProps().
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Gets the value associated with a particular key.
what | the key to lookup |
res | a reference used to return the result |
Notes:
res
is a std::string
, every effort will be made to convert the specified element to a string using the boost::lexical_cast
machinery.what
, a KeyErrorException will be thrown. Definition at line 152 of file Dict.h.
Referenced by RDKit::MolCatalogEntry::getProp(), RDKit::FragCatalogEntry::getProp(), RDKit::RDProps::getProp(), RDKit::FilterCatalogEntry::getProp(), and getVal().
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This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
Definition at line 157 of file Dict.h.
References getVal(), and RDKit::Dict::Pair::key.
void RDKit::Dict::getVal | ( | const std::string & | what, |
std::string & | res | ||
) | const |
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
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Potentially gets the value associated with a particular key returns true on success/false on failure.
what | the key to lookup |
res | a reference used to return the result |
Notes:
res
is a std::string
, every effort will be made to convert the specified element to a string using the boost::lexical_cast
machinery.what
, a KeyErrorException will be thrown. Definition at line 185 of file Dict.h.
References RDKit::Dict::Pair::key.
Referenced by RDKit::RDProps::getPropIfPresent(), RDKit::FilterCatalogEntry::getPropIfPresent(), and RDKit::FilterCatalogEntry::hasFilterMatch().
bool RDKit::Dict::getValIfPresent | ( | const std::string & | what, |
std::string & | res | ||
) | const |
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
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Returns whether or not the dictionary contains a particular key.
Definition at line 117 of file Dict.h.
References RDKit::Dict::Pair::key.
Referenced by RDKit::MolCatalogEntry::hasProp(), RDKit::FragCatalogEntry::hasProp(), RDKit::RDProps::hasProp(), and RDKit::FilterCatalogEntry::hasProp().
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Returns the set of keys in the dictionary.
STR_VECT
Definition at line 129 of file Dict.h.
Referenced by RDKit::RDProps::getPropList(), RDKit::FilterCatalogEntry::getPropList(), and RDKit::FilterCatalogEntry::hasFilterMatch().
Definition at line 93 of file Dict.h.
References RDKit::copy_rdvalue(), and RDKit::Dict::Pair::val.
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Clears all keys (and values) from the dictionary.
Definition at line 282 of file Dict.h.
References RDKit::RDValue::cleanup_rdvalue(), and RDKit::Dict::Pair::val.
Referenced by RDKit::RDProps::clear(), RDKit::RWMol::clear(), RDKit::FilterCatalogEntry::hasFilterMatch(), and ~Dict().
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Definition at line 225 of file Dict.h.
References RDKit::RDValue::cleanup_rdvalue(), RDKit::Dict::Pair::key, RDKit::Dict::Pair::Pair(), and RDKit::Dict::Pair::val.
Referenced by setVal().
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Sets the value associated with a key.
what | the key to set |
val | the value to store |
Notes:
val
is a const char *
, it will be converted to a std::string
for storage.what
, the value will be replaced. Definition at line 212 of file Dict.h.
References RDKit::RDValue::cleanup_rdvalue(), RDKit::Dict::Pair::key, RDKit::Dict::Pair::Pair(), and RDKit::Dict::Pair::val.
Referenced by RDKit::RWMol::clear(), RDKit::RDProps::clearComputedProps(), RDKit::RDProps::clearProp(), RDKit::FilterCatalogEntry::hasFilterMatch(), RDKit::MolCatalogEntry::setProp(), RDKit::RDProps::setProp(), RDKit::FragCatalogEntry::setProp(), RDKit::FilterCatalogEntry::setProp(), and setVal().
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Definition at line 237 of file Dict.h.
References setPODVal().
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Definition at line 239 of file Dict.h.
References setPODVal().
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Definition at line 241 of file Dict.h.
References setPODVal().
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Definition at line 243 of file Dict.h.
References setPODVal().
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Definition at line 245 of file Dict.h.
References setPODVal().
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Definition at line 66 of file Dict.h.
References RDKit::copy_rdvalue(), RDKit::Dict::Pair::key, RDKit::Dict::Pair::Pair(), and RDKit::Dict::Pair::val.
Referenced by RDKit::RDProps::updateProps().