| all_torsions_ (defined in BALL::ResidueTorsions) |
BALL::ResidueTorsions |
[protected] |
|
assignTorsion(const String &name, Position i, Data
&torsion) const |
BALL::ResidueTorsions |
|
|
clear() |
BALL::ResidueTorsions |
[virtual] |
| entries_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
|
extractSection(ForceFieldParameters ¶meters,
const String §ion_name) |
BALL::ResidueTorsions |
[virtual] |
|
extractSection(Parameters ¶meters, const String
§ion_name) |
BALL::ResidueTorsions |
[virtual] |
| format_line_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
|
getColumnIndex(const String &variable) const |
BALL::ParameterSection |
|
|
getKey(Position key_index) const |
BALL::ParameterSection |
|
|
getNumberOfKeys() const |
BALL::ParameterSection |
|
|
getNumberOfResidueTorsions(const String
&residue_name) const |
BALL::ResidueTorsions |
|
|
getNumberOfVariables() const |
BALL::ParameterSection |
|
|
getSectionName() const |
BALL::ParameterSection |
|
|
getValue(const String &key, const String
&variable) const |
BALL::ParameterSection |
|
|
getValue(Position key_index, Position variable_index)
const |
BALL::ParameterSection |
|
|
has(const String &key, const String &variable)
const |
BALL::ParameterSection |
|
|
has(const String &key) const |
BALL::ParameterSection |
|
|
hasTorsion(const String &residue, const String
&atom_A, const String &atom_B, const String
&atom_C, const String &atom_D) const |
BALL::ResidueTorsions |
|
|
hasVariable(const String &variable) const |
BALL::ParameterSection |
|
|
isValid() const |
BALL::ParameterSection |
[virtual] |
| keys_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
| MAX_FIELDS enum value (defined in BALL::ParameterSection) |
BALL::ParameterSection |
|
| number_of_variables_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
|
operator=(const ParameterSection §ion) |
BALL::ParameterSection |
|
|
operator==(const ParameterSection
¶meter_section) const |
BALL::ParameterSection |
|
|
options |
BALL::ParameterSection |
|
|
ParameterSection() |
BALL::ParameterSection |
|
|
ParameterSection(const ParameterSection
¶meter_section) |
BALL::ParameterSection |
|
|
ResidueTorsions() |
BALL::ResidueTorsions |
|
| section_entries_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
| section_name_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
| torsions_ (defined in BALL::ResidueTorsions) |
BALL::ResidueTorsions |
[protected] |
|
UNDEFINED |
BALL::ParameterSection |
[static] |
| valid_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
| variable_names_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
| version_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
|
~ParameterSection() |
BALL::ParameterSection |
[virtual] |
|
~ResidueTorsions() |
BALL::ResidueTorsions |
[virtual] |