rdkit-sys 0.4.12

RDKit CFFI library builder and bindings
Documentation 
1
2
3
4
5
6
7
8
9
10
11
12
13
14

#include "rust/cxx.h"
#include <rdkit/GraphMol/PeriodicTable.h>

namespace RDKit {
const std::vector<int> &get_valence_list(unsigned int atomic_number) {
	PeriodicTable *pt = RDKit::PeriodicTable::getTable();
	return pt->getValenceList(atomic_number);
}

double get_most_common_isotope_mass(const std::string &symbol) {
	PeriodicTable *pt = RDKit::PeriodicTable::getTable();
	return pt->getMostCommonIsotopeMass(symbol);
}
} // namespace RDKit