source: src/Descriptors/MoleculeNameDescriptor_impl.hpp@ 14b65e

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Last change on this file since 14b65e was 31b09e, checked in by Frederik Heber <heber@…>, 15 years ago

Added new MoleculeDescriptor by name.

  • molecule Ids are rather clumsy to use (not as efficiently handled yet as those of atoms by World).
  • but this would need another queryMolecule as the one present so far, looks for ints not strings.
  • Property mode set to 100644
File size: 523 bytes
Line 
1#ifndef MOLECULENAMEDESCRIPTOR_IMPL_HPP
2#define MOLECULENAMEDESCRIPTOR_IMPL_HPP
3
4#include "Descriptors/MoleculeDescriptor_impl.hpp"
5
6class MoleculeNameDescriptor_impl : public MoleculeDescriptor_impl
7{
8public:
9 MoleculeNameDescriptor_impl(std::string _name);
10 virtual ~MoleculeNameDescriptor_impl();
11
12 bool predicate(std::pair<moleculeId_t,molecule*> molecule);
13
14protected:
15 virtual molecule *find();
16 virtual std::vector<molecule*> findAll();
17private:
18 std::string name;
19};
20
21#endif //MOLECULENAMEDESCRIPTOR_IMPL_HPP
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