| version 1.15 | version 1.16 |
|---|
| |
| { | { |
| public: | public: |
| | |
| /// \brief Initialize the group by looking up its configuration | |
| /// string in conf and parsing it; this is actually done by parse(), | /// \brief Default constructor |
| /// which is a member function so that a group can be initialized | atom_group(); |
| /// also after construction | |
| atom_group(std::string const &conf, | /// \brief Create a group object, assign a name to it |
| char const *key); | atom_group(char const *key); |
| | |
| | /// \brief Initialize the group after a (temporary) vector of atoms |
| | atom_group(std::vector<cvm::atom> const &atoms_in); |
| | |
| | /// \brief Destructor |
| | ~atom_group(); |
| | |
| /// \brief Keyword used to define the group | /// \brief Keyword used to define the group |
| // TODO Make this field part of the data structures that link a group to a CVC | // TODO Make this field part of the data structures that link a group to a CVC |
| |
| std::string const &range_conf); | std::string const &range_conf); |
| int parse_fitting_options(std::string const &group_conf); | int parse_fitting_options(std::string const &group_conf); |
| | |
| /// \brief Initialize the group after a (temporary) vector of atoms | |
| atom_group(std::vector<cvm::atom> const &atoms_in); | |
| | |
| /// \brief Add an atom object to this group | /// \brief Add an atom object to this group |
| int add_atom(cvm::atom const &a); | int add_atom(cvm::atom const &a); |
| | |
| |
| return ag_features; | return ag_features; |
| } | } |
| | |
| /// \brief Default constructor | |
| atom_group(); | |
| | |
| /// \brief Destructor | |
| ~atom_group(); | |
| | |
| protected: | protected: |
| | |
| /// \brief Array of atom objects | /// \brief Array of atom objects |