assignParameters(Position type_index, Index at1,
Index at2, Index at3, Index at4, double &v1, double
&v2, double &v3) const (defined in BALL::MMFF94TorsionParameters) |
BALL::MMFF94TorsionParameters |
|
buffered_parameters_ (defined in BALL::MMFF94TorsionParameters) |
BALL::MMFF94TorsionParameters |
[mutable, protected] |
clear() |
BALL::MMFF94TorsionParameters |
[virtual] |
equiv_ (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
[protected] |
getIndex_(Position type, Position atom_type1,
Position atom_type2, Position atom_type3, Position
atom_type4) const (defined in BALL::MMFF94TorsionParameters) |
BALL::MMFF94TorsionParameters |
[protected] |
ic_ (defined in BALL::MMFF94TorsionParameters) |
BALL::MMFF94TorsionParameters |
[protected, static] |
is_initialized_ (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
[protected] |
isInitialized() (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
|
lc_ (defined in BALL::MMFF94TorsionParameters) |
BALL::MMFF94TorsionParameters |
[protected, static] |
MMFF94ParametersBase() |
BALL::MMFF94ParametersBase |
|
MMFF94TorsionParameters() |
BALL::MMFF94TorsionParameters |
|
number_expected_fields_ (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
[protected] |
operator=(const MMFF94TorsionParameters
¶m) |
BALL::MMFF94TorsionParameters |
|
BALL::MMFF94ParametersBase::operator=(const
MMFF94ParametersBase &) |
BALL::MMFF94ParametersBase |
|
parameters_ |
BALL::MMFF94TorsionParameters |
[protected] |
readParameters(Parameters &p, const String
§ion) (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
|
setEquivalences(const MMFF94AtomTypeEquivalences
&equi) (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
|
setup_(const vector< vector< String >
> &) (defined in BALL::MMFF94TorsionParameters) |
BALL::MMFF94TorsionParameters |
[protected, virtual] |
TorsionsMap typedef |
BALL::MMFF94TorsionParameters |
|
~MMFF94ParametersBase() |
BALL::MMFF94ParametersBase |
[virtual] |
~MMFF94TorsionParameters() |
BALL::MMFF94TorsionParameters |
[virtual] |