This class is used to store ROMol objects in a MolCatalog.
const ROMol * getMol() const
void getProp(const char *key, T &res) const
get the value of a named property
Abstract base class to be used to represent an entry in a Catalog.
void setDescription(std::string val)
void setOrder(unsigned int order)
void clearProp(const char *key) const
clears a named property
bool hasProp(const std::string &key) const
This is an overloaded member function, provided for convenience. It differs from the above function o...
bool hasProp(const char *key) const
returns true if such a property exists
void clearProp(const std::string &key) const
This is an overloaded member function, provided for convenience. It differs from the above function o...
void setProp(const std::string &key, T &val) const
This is an overloaded member function, provided for convenience. It differs from the above function o...
void setProp(const char *key, T &val) const
set a named property
unsigned int getOrder() const
void getProp(const std::string &key, T &res) const
This is an overloaded member function, provided for convenience. It differs from the above function o...
std::string getDescription() const
returns a text description of this entry
MolCatalogEntry(const std::string &pickle)
construct from a pickle