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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>
Public Types | |
typedef std::map< std::string, boost::any > | DataType |
Public Member Functions | |
Dict () | |
Dict (const Dict &other) | |
Dict & | operator= (const Dict &other) |
bool | hasVal (const char *what) const |
Returns whether or not the dictionary contains a particular key. More... | |
bool | hasVal (const std::string &what) const |
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 |
template<typename T > | |
T | getVal (const char *what, T &res) const |
template<typename T > | |
T | getVal (const char *what) const |
void | getVal (const std::string &what, std::string &res) const |
void | getVal (const char *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... | |
template<typename T > | |
bool | getValIfPresent (const char *what, T &res) const |
bool | getValIfPresent (const std::string &what, std::string &res) const |
bool | getValIfPresent (const char *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 | setVal (const char *what, T &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 | clearVal (const char *what) |
void | reset () |
Clears all keys (and values) from the dictionary. More... | |
template<typename T > | |
T | fromany (const boost::any &arg) const |
Converts a boost::any to type T . More... | |
template<typename T > | |
boost::any | toany (T arg) const |
Converts an instance of type T to boost::any . More... | |
The Dict
class can be used to store objects of arbitrary type keyed by strings
.
The actual storage is done using boost::any
objects.
typedef std::map<std::string, boost::any> RDKit::Dict::DataType |
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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 198 of file Dict.h.
References hasVal().
Referenced by RDKit::Bond::clearComputedProps(), RDKit::Atom::clearComputedProps(), RDKit::MolCatalogEntry::clearProp(), RDKit::FragCatalogEntry::clearProp(), RDKit::Bond::clearProp(), RDKit::Atom::clearProp(), RDKit::ROMol::clearProp(), and clearVal().
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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 204 of file Dict.h.
References clearVal().
T RDKit::Dict::fromany | ( | const boost::any & | arg | ) | const |
Converts a boost::any
to type T
.
arg | a boost::any reference |
T
Referenced by reset().
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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 86 of file Dict.h.
Referenced by RDKit::MolCatalogEntry::getProp(), RDKit::FragCatalogEntry::getProp(), RDKit::Bond::getProp(), RDKit::Atom::getProp(), RDKit::ROMol::getProp(), getVal(), and RDKit::ROMol::setProp().
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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 134 of file Dict.h.
Referenced by RDKit::Bond::getPropIfPresent(), RDKit::Atom::getPropIfPresent(), RDKit::ROMol::getPropIfPresent(), and getValIfPresent().
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Definition at line 144 of file Dict.h.
References getValIfPresent().
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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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 152 of file Dict.h.
References getValIfPresent().
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Returns whether or not the dictionary contains a particular key.
Definition at line 50 of file Dict.h.
Referenced by clearVal(), RDKit::MolCatalogEntry::hasProp(), RDKit::FragCatalogEntry::hasProp(), RDKit::Bond::hasProp(), RDKit::Atom::hasProp(), and RDKit::ROMol::hasProp().
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Returns the set of keys in the dictionary.
STR_VECT
Definition at line 63 of file Dict.h.
Referenced by RDKit::Bond::getPropList(), RDKit::Atom::getPropList(), and RDKit::ROMol::getPropList().
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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 170 of file Dict.h.
References toany().
Referenced by RDKit::Bond::clearComputedProps(), RDKit::Atom::clearComputedProps(), RDKit::Bond::clearProp(), RDKit::Atom::clearProp(), RDKit::ROMol::clearProp(), RDKit::MolCatalogEntry::setProp(), RDKit::FragCatalogEntry::setProp(), RDKit::Bond::setProp(), RDKit::Atom::setProp(), RDKit::ROMol::setProp(), and setVal().
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boost::any RDKit::Dict::toany | ( | T | arg | ) | const |