assignParameters(CharmmEEF1::Values ¶meters,
Atom::Type I) const |
BALL::CharmmEEF1 |
|
CharmmEEF1() |
BALL::CharmmEEF1 |
|
CharmmEEF1(const CharmmEEF1 &charmm_EEF1) |
BALL::CharmmEEF1 |
|
clear() |
BALL::CharmmEEF1 |
[virtual] |
Cp_ref_ (defined in BALL::CharmmEEF1) |
BALL::CharmmEEF1 |
[protected] |
dG_free_ (defined in BALL::CharmmEEF1) |
BALL::CharmmEEF1 |
[protected] |
dG_ref_ (defined in BALL::CharmmEEF1) |
BALL::CharmmEEF1 |
[protected] |
dH_ref_ (defined in BALL::CharmmEEF1) |
BALL::CharmmEEF1 |
[protected] |
entries_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
extractSection(ForceFieldParameters ¶meters,
const String §ion_name) |
BALL::CharmmEEF1 |
[virtual] |
extractSection(Parameters ¶meters, const String
§ion_name) |
BALL::CharmmEEF1 |
[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 |
|
getNumberOfVariables() const |
BALL::ParameterSection |
|
getParameters(Atom::Type I) const |
BALL::CharmmEEF1 |
|
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 |
|
hasParameters(Atom::Type I) const |
BALL::CharmmEEF1 |
|
hasVariable(const String &variable) const |
BALL::ParameterSection |
|
is_defined_ (defined in BALL::CharmmEEF1) |
BALL::CharmmEEF1 |
[protected] |
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_atom_types_ (defined in BALL::CharmmEEF1) |
BALL::CharmmEEF1 |
[protected] |
number_of_variables_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
operator=(const CharmmEEF1 &charmm_EEF1) |
BALL::CharmmEEF1 |
|
BALL::ParameterSection::operator=(const
ParameterSection §ion) |
BALL::ParameterSection |
|
operator==(const CharmmEEF1 &charmm_EEF1)
const |
BALL::CharmmEEF1 |
|
BALL::ParameterSection::operator==(const
ParameterSection ¶meter_section) const |
BALL::ParameterSection |
|
options |
BALL::ParameterSection |
|
ParameterSection() |
BALL::ParameterSection |
|
ParameterSection(const ParameterSection
¶meter_section) |
BALL::ParameterSection |
|
R_min_ (defined in BALL::CharmmEEF1) |
BALL::CharmmEEF1 |
[protected] |
section_entries_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
section_name_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
sig_w_ (defined in BALL::CharmmEEF1) |
BALL::CharmmEEF1 |
[protected] |
UNDEFINED |
BALL::ParameterSection |
[static] |
V_ (defined in BALL::CharmmEEF1) |
BALL::CharmmEEF1 |
[protected] |
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] |
~CharmmEEF1() |
BALL::CharmmEEF1 |
[virtual] |
~ParameterSection() |
BALL::ParameterSection |
[virtual] |