BALL
1.4.79
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#include <BALL/MOLMEC/MMFF94/MMFF94Parameters.h>
Public Member Functions | |
MMFF94AtomTypes () | |
MMFF94AtomTypes (const MMFF94AtomTypes &to_copy) | |
~MMFF94AtomTypes () | |
const std::vector < MMFF94AtomType > & | getAtomTypes () const |
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MMFF94ParametersBase () | |
Default constructor. More... | |
virtual | ~MMFF94ParametersBase () |
Destructor. More... | |
const MMFF94ParametersBase & | operator= (const MMFF94ParametersBase &) |
Assignment operator. More... | |
virtual void | clear () |
Clear method. More... | |
bool | isInitialized () |
bool | readParameters (Parameters &p, const String §ion) throw (Exception::FileNotFound) |
void | setEquivalences (const MMFF94AtomTypeEquivalences &equi) |
Protected Member Functions | |
virtual bool | setup_ (const std::vector< std::vector< String > > &) |
Protected Attributes | |
std::vector< MMFF94AtomType > | data_ |
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bool | is_initialized_ |
Size | number_expected_fields_ |
const MMFF94AtomTypeEquivalences * | equiv_ |
MMFF94 parameters for atom types (see MMFFPROP.PAR)
Definition at line 158 of file MMFF94Parameters.h.
BALL::MMFF94AtomTypes::MMFF94AtomTypes | ( | ) |
BALL::MMFF94AtomTypes::MMFF94AtomTypes | ( | const MMFF94AtomTypes & | to_copy | ) |
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inline |
Definition at line 170 of file MMFF94Parameters.h.
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inline |
Definition at line 173 of file MMFF94Parameters.h.
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protectedvirtual |
Reimplemented from BALL::MMFF94ParametersBase.
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protected |
Definition at line 178 of file MMFF94Parameters.h.