argument_pointer typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
argument_reference typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
argument_type typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
calcPrincipalMomentOfInertia_(double &pmi_x, double &pmi_y, double &pmi_z, AtomContainer &ac) | BALL::SimpleBase | private |
calculate_(AtomContainer &ac) | BALL::SimpleBase | protectedvirtual |
compute(AtomContainer &ac) | BALL::Descriptor | virtual |
computeAllDescriptors(AtomContainer &ac) | BALL::SimpleBase | |
const_argument_pointer typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
const_argument_reference typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
data_folder_ | BALL::SimpleBase | private |
Descriptor() | BALL::Descriptor | |
Descriptor(const Descriptor &descriptor) | BALL::Descriptor | |
Descriptor(const String &name) | BALL::Descriptor | |
Descriptor(const String &name, const String &unit) | BALL::Descriptor | |
finish() | BALL::UnaryProcessor< AtomContainer > | inlinevirtual |
getAtomicPolarizability_(int atomic_number) | BALL::SimpleBase | private |
getName() const | BALL::Descriptor | |
getUnit() const | BALL::Descriptor | |
isHydrophobic_(const Atom *atom) const | BALL::SimpleBase | private |
isValid_(AtomContainer &ac) | BALL::SimpleBase | protectedvirtual |
operator()(AtomContainer &ac) | BALL::Descriptor | virtual |
operator=(const SimpleBase &sb) | BALL::SimpleBase | virtual |
BALL::Descriptor::operator=(const Descriptor &descriptor) | BALL::Descriptor | |
readAtomicPolarizabilities_(std::vector< float > &polarizabilities) | BALL::SimpleBase | private |
result_type typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
setDataFolder(const char *folder) | BALL::SimpleBase | |
setName(const String &name) | BALL::Descriptor | |
setUnit(const String &name) | BALL::Descriptor | |
SimpleBase() | BALL::SimpleBase | |
SimpleBase(const SimpleBase &sb) | BALL::SimpleBase | |
SimpleBase(const String &name) | BALL::SimpleBase | |
SimpleBase(const String &name, const String &unit) | BALL::SimpleBase | |
start() | BALL::UnaryProcessor< AtomContainer > | inlinevirtual |
UnaryProcessor() | BALL::UnaryProcessor< AtomContainer > | inline |
UnaryProcessor(const UnaryProcessor &) | BALL::UnaryProcessor< AtomContainer > | inline |
~Descriptor() | BALL::Descriptor | virtual |
~SimpleBase() | BALL::SimpleBase | virtual |
~UnaryProcessor() | BALL::UnaryProcessor< AtomContainer > | inlinevirtual |