version 1.15 | version 1.16 |
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{ | { |
public: | public: |
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/// \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); |
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| /// \brief Initialize the group after a (temporary) vector of atoms |
| atom_group(std::vector<cvm::atom> const &atoms_in); |
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| /// \brief Destructor |
| ~atom_group(); |
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/// \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 |
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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); |
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/// \brief Initialize the group after a (temporary) vector of atoms | |
atom_group(std::vector<cvm::atom> const &atoms_in); | |
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/// \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); |
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return ag_features; | return ag_features; |
} | } |
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/// \brief Default constructor | |
atom_group(); | |
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/// \brief Destructor | |
~atom_group(); | |
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protected: | protected: |
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/// \brief Array of atom objects | /// \brief Array of atom objects |