assign(System &system, bool
overwrite_existing_typenames=true, bool
overwrite_non_zero_charges=true) const |
BALL::Templates |
|
assignCharges(System &system, bool
overwrite_non_zero_charges=true) const |
BALL::Templates |
|
assignTypeNames(System &system, bool
overwrite_existing_typenames=true) const |
BALL::Templates |
|
charges_ (defined in BALL::Templates) |
BALL::Templates |
[protected] |
clear() |
BALL::Templates |
[virtual] |
entries_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
extractSection(Parameters ¶meters, const String
§ion_name) |
BALL::Templates |
[virtual] |
format_line_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
getCharge(const String &name) const |
BALL::Templates |
|
getColumnIndex(const String &variable) const |
BALL::ParameterSection |
|
getKey(Position key_index) const |
BALL::ParameterSection |
|
getMaximumUnassignedAtoms() const |
BALL::Templates |
|
getNumberOfKeys() const |
BALL::ParameterSection |
|
getNumberOfUnassignedAtoms() const |
BALL::Templates |
|
getNumberOfVariables() const |
BALL::ParameterSection |
|
getSectionName() const |
BALL::ParameterSection |
|
getTypeName(const String &name) const |
BALL::Templates |
|
getUnassignedAtoms() |
BALL::Templates |
|
getValue(const String &key, const String
&variable) const |
BALL::ParameterSection |
|
getValue(Position key_index, Position variable_index)
const |
BALL::ParameterSection |
|
has(const String &name) const |
BALL::Templates |
|
BALL::ParameterSection::has(const String &key,
const String &variable) const |
BALL::ParameterSection |
|
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 |
|
max_number_unassigned_atoms_ (defined in
BALL::Templates) |
BALL::Templates |
[protected] |
number_of_variables_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
operator=(const Templates &templates) |
BALL::Templates |
|
BALL::ParameterSection::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 |
|
section_entries_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
section_name_ (defined in BALL::ParameterSection) |
BALL::ParameterSection |
[protected] |
setMaximumUnassignedAtoms(Size nr) |
BALL::Templates |
|
Templates() |
BALL::Templates |
|
Templates(const Templates &templates, bool
deep=true) |
BALL::Templates |
|
type_names_ (defined in BALL::Templates) |
BALL::Templates |
[protected] |
unassigned_atoms_ (defined in BALL::Templates) |
BALL::Templates |
[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] |
~Templates() |
BALL::Templates |
[virtual] |