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RDKit
Open-source cheminformatics and machine learning.
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a linear Catalog (analogous to an std::vector) More...
#include <Catalog.h>
Public Member Functions | |
std::string | Serialize () |
unsigned int | addEntry (entryType *entry, bool updateFPLength=true) |
adds an entry to the catalog More... | |
const entryType * | getEntryWithIdx (unsigned int idx) const |
returns a particular entry in the Catalog More... | |
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Catalog () | |
virtual | ~Catalog () |
virtual std::string | Serialize () const =0 |
return a serialized form of the Catalog as an std::string More... | |
virtual unsigned int | getNumEntries () const =0 |
returns the number of entries More... | |
unsigned int | getFPLength () const |
returns the length of our fingerprint More... | |
void | setFPLength (unsigned int val) |
sets our fingerprint length More... | |
void | setCatalogParams (orderType *params) |
sets our parameters by copying the params argument More... | |
const orderType * | getCatalogParams () const |
returns a pointer to our parameters More... | |
Additional Inherited Members | |
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unsigned int | d_fpLength |
the length of our fingerprint More... | |
orderType * | dp_cParams |
our params object More... | |
a linear Catalog (analogous to an std::vector)
Here there is no particular hierarchy, simply a collection of entries.
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virtual |
adds an entry to the catalog
entry | the entry to be added |
updateFPLength | (optional) if this is true, our internal fingerprint length will also be updated. |
Implements RDCatalog::Catalog< entryType, orderType >.
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virtual |
returns a particular entry in the Catalog
Implements RDCatalog::Catalog< entryType, orderType >.
std::string RDCatalog::LinearCatalog< entryType, orderType >::Serialize | ( | ) |