| 35 | } |
| 36 | |
| 37 | bool writeFile(const Core::Molecule& molecule, const std::string& fileName, |
| 38 | const std::string& fileExtension = std::string(), |
| 39 | const std::string& options = std::string()) const |
| 40 | { |
| 41 | return m_ffm.writeFile(molecule, fileName, fileExtension, options); |
| 42 | } |
| 43 | |
| 44 | bool readString(Core::Molecule& molecule, const std::string& string, |
| 45 | const std::string& fileExtension, |