source: src/Descriptors/MoleculeFormulaDescriptor.hpp@ ff4fff9

CombiningParticlePotentialParsing
Last change on this file since ff4fff9 was b88fe4, checked in by Frederik Heber <heber@…>, 14 years ago

Removed Exceptions/FormulaStringParseException.

  • is now boost::exceptions-derived and part of Formula.
  • Property mode set to 100644
File size: 509 bytes
Line 
1/*
2 * MoleculeFormulaDescriptor.hpp
3 *
4 * Created on: Jul 22, 2010
5 * Author: crueger
6 */
7
8#ifndef MOLECULEFORMULADESCRIPTOR_HPP_
9#define MOLECULEFORMULADESCRIPTOR_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
17#include "Descriptors/MoleculeDescriptor.hpp"
18
19#include "Formula.hpp"
20
21MoleculeDescriptor MoleculeByFormula(const Formula&);
22MoleculeDescriptor MoleculeByFormula(const std::string&) throw(FormulaStringParseException);
23
24#endif /* MOLECULEFORMULADESCRIPTOR_HPP_ */
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