source: src/Descriptors/MoleculeFormulaDescriptor.hpp@ 987145

Action_Thermostats Add_AtomRandomPerturbation Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps stable
Last change on this file since 987145 was b88fe4, checked in by Frederik Heber <heber@…>, 15 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_ */
Note: See TracBrowser for help on using the repository browser.