Index

A | C | F | S | T | U

A

Atom::Atom (C++ function), [1]
Atom::atomic_number (C++ function)
Atom::covalent_radius (C++ function)
Atom::full_name (C++ function)
Atom::vdw_radius (C++ function)

C

chemfiles::Atom (C++ class)
chemfiles::Atom::charge (C++ function)
chemfiles::Atom::mass (C++ function)
chemfiles::Atom::name (C++ function)
chemfiles::Atom::set_charge (C++ function)
chemfiles::Atom::set_mass (C++ function)
chemfiles::Atom::set_name (C++ function)
chemfiles::Atom::set_type (C++ function)
chemfiles::Atom::type (C++ function)
chemfiles::DCD (C++ class)
chemfiles::Error (C++ class)
chemfiles::File (C++ class)
chemfiles::File::APPEND (C++ class)
chemfiles::File::filename (C++ function)
chemfiles::File::mode (C++ function)
chemfiles::File::Mode (C++ type)
chemfiles::File::READ (C++ class)
chemfiles::File::WRITE (C++ class)
chemfiles::FileError (C++ class)
chemfiles::Format (C++ class)
chemfiles::Format::description (C++ function)
chemfiles::Format::nsteps (C++ function)
chemfiles::FormatError (C++ class)
chemfiles::FormatFactory (C++ class)
chemfiles::Frame (C++ class)
chemfiles::Frame::cell (C++ function)
chemfiles::Frame::clone (C++ function)
chemfiles::Frame::positions (C++ function), [1]
chemfiles::Frame::set_cell (C++ function)
chemfiles::Frame::set_step (C++ function)
chemfiles::Frame::step (C++ function)
chemfiles::Frame::topology (C++ function), [1]
chemfiles::Frame::velocities (C++ function), [1]
chemfiles::GRO (C++ class)
chemfiles::LAMMPS (C++ class)
chemfiles::Match (C++ class)
chemfiles::Match::MAX_MATCH_SIZE (C++ member)
chemfiles::Match::operator[] (C++ function)
chemfiles::Match::size (C++ function)
chemfiles::MemoryError (C++ class)
chemfiles::MolfileFormat (C++ type)
chemfiles::Selection (C++ class)
chemfiles::Selection::string (C++ function)
chemfiles::SelectionError (C++ class)
chemfiles::set_warning_callback (C++ function)
chemfiles::TextFile (C++ class)
chemfiles::TextFile::eof (C++ function)
chemfiles::TextFile::readline (C++ function)
chemfiles::TextFile::readlines (C++ function)
chemfiles::TextFile::rewind (C++ function)
chemfiles::Topology (C++ class)
chemfiles::Topology::clear_bonds (C++ function)
chemfiles::Topology::natoms (C++ function)
chemfiles::Topology::operator[] (C++ function), [1]
chemfiles::Topology::residues (C++ function)
chemfiles::Topology::Topology (C++ function)
chemfiles::Trajectory (C++ class)
chemfiles::Trajectory::nsteps (C++ function)
chemfiles::TRJ (C++ class)
chemfiles::TRR (C++ class)
chemfiles::UnitCell (C++ class)
chemfiles::UnitCell::a (C++ function)
chemfiles::UnitCell::alpha (C++ function)
chemfiles::UnitCell::b (C++ function)
chemfiles::UnitCell::beta (C++ function)
chemfiles::UnitCell::c (C++ function)
chemfiles::UnitCell::CellShape (C++ type)
chemfiles::UnitCell::gamma (C++ function)
chemfiles::UnitCell::INFINITE (C++ class)
chemfiles::UnitCell::matricial (C++ function)
chemfiles::UnitCell::ORTHORHOMBIC (C++ class)
chemfiles::UnitCell::shape (C++ function)
chemfiles::UnitCell::TRICLINIC (C++ class)
chemfiles::UnitCell::UnitCell (C++ function), [1]
chemfiles::warning_callback (C++ type)
chemfiles::XTC (C++ class)
CHEMFILES_VERSION (C macro)
CHEMFILES_VERSION_MAJOR (C macro)
CHEMFILES_VERSION_MINOR (C macro)
CHEMFILES_VERSION_PATCH (C macro)
chfl_atom (C++ function)
CHFL_ATOM (C++ type)
chfl_atom_atomic_number (C++ function)
chfl_atom_charge (C++ function)
chfl_atom_copy (C++ function)
chfl_atom_covalent_radius (C++ function)
chfl_atom_free (C++ function)
chfl_atom_from_frame (C++ function)
chfl_atom_from_topology (C++ function)
chfl_atom_full_name (C++ function)
chfl_atom_mass (C++ function)
chfl_atom_name (C++ function)
chfl_atom_set_charge (C++ function)
chfl_atom_set_mass (C++ function)
chfl_atom_set_name (C++ function)
chfl_atom_set_type (C++ function)
chfl_atom_type (C++ function)
chfl_atom_vdw_radius (C++ function)
chfl_cell (C++ function)
CHFL_CELL (C++ type)
chfl_cell_angles (C++ function)
chfl_cell_copy (C++ function)
chfl_cell_free (C++ function)
chfl_cell_from_frame (C++ function)
CHFL_CELL_INFINITE (C++ class)
chfl_cell_lengths (C++ function)
chfl_cell_matrix (C++ function)
CHFL_CELL_ORTHORHOMBIC (C++ class)
chfl_cell_set_angles (C++ function)
chfl_cell_set_lengths (C++ function)
chfl_cell_set_shape (C++ function)
chfl_cell_shape (C++ function)
chfl_cell_shape_t (C++ type)
CHFL_CELL_TRICLINIC (C++ class)
chfl_cell_triclinic (C++ function)
chfl_cell_volume (C++ function)
chfl_clear_errors (C++ function)
CHFL_CXX_ERROR (C++ class)
CHFL_FILE_ERROR (C++ class)
CHFL_FORMAT_ERROR (C++ class)
chfl_frame (C++ function)
CHFL_FRAME (C++ type)
chfl_frame_add_atom (C++ function)
chfl_frame_add_velocities (C++ function)
chfl_frame_atoms_count (C++ function)
chfl_frame_copy (C++ function)
chfl_frame_free (C++ function)
chfl_frame_guess_topology (C++ function)
chfl_frame_has_velocities (C++ function)
chfl_frame_positions (C++ function)
chfl_frame_remove (C++ function)
chfl_frame_resize (C++ function)
chfl_frame_set_cell (C++ function)
chfl_frame_set_step (C++ function)
chfl_frame_set_topology (C++ function)
chfl_frame_step (C++ function)
chfl_frame_velocities (C++ function)
CHFL_GENERIC_ERROR (C++ class)
chfl_last_error (C++ function)
chfl_match_t (C++ class)
chfl_match_t::atoms (C++ member)
chfl_match_t::size (C++ member)
CHFL_MAX_SELECTION_SIZE (C macro)
CHFL_MEMORY_ERROR (C++ class)
chfl_residue (C++ function)
CHFL_RESIDUE (C++ type)
chfl_residue_add_atom (C++ function)
chfl_residue_atoms_count (C++ function)
chfl_residue_contains (C++ function)
chfl_residue_copy (C++ function)
chfl_residue_for_atom (C++ function)
chfl_residue_free (C++ function)
chfl_residue_from_topology (C++ function)
chfl_residue_id (C++ function)
chfl_residue_name (C++ function)
chfl_selection (C++ function)
CHFL_SELECTION (C++ type)
chfl_selection_copy (C++ function)
CHFL_SELECTION_ERROR (C++ class)
chfl_selection_evaluate (C++ function)
chfl_selection_free (C++ function)
chfl_selection_matches (C++ function)
chfl_selection_size (C++ function)
chfl_selection_string (C++ function)
chfl_set_warning_callback (C++ function)
chfl_status (C++ type)
CHFL_SUCCESS (C++ class)
chfl_topology (C++ function)
CHFL_TOPOLOGY (C++ type)
chfl_topology_add_atom (C++ function)
chfl_topology_add_bond (C++ function)
chfl_topology_add_residue (C++ function)
chfl_topology_angles (C++ function)
chfl_topology_angles_count (C++ function)
chfl_topology_atoms_count (C++ function)
chfl_topology_bonds (C++ function)
chfl_topology_bonds_count (C++ function)
chfl_topology_copy (C++ function)
chfl_topology_dihedrals (C++ function)
chfl_topology_dihedrals_count (C++ function)
chfl_topology_free (C++ function)
chfl_topology_from_frame (C++ function)
chfl_topology_isangle (C++ function)
chfl_topology_isbond (C++ function)
chfl_topology_isdihedral (C++ function)
chfl_topology_remove (C++ function)
chfl_topology_remove_bond (C++ function)
chfl_topology_residues_count (C++ function)
chfl_topology_residues_linked (C++ function)
chfl_topology_resize (C++ function)
CHFL_TRAJECTORY (C++ type)
chfl_trajectory_close (C++ function)
chfl_trajectory_nsteps (C++ function)
chfl_trajectory_open (C++ function)
chfl_trajectory_read (C++ function)
chfl_trajectory_read_step (C++ function)
chfl_trajectory_set_cell (C++ function)
chfl_trajectory_set_topology (C++ function)
chfl_trajectory_topology_file (C++ function)
chfl_trajectory_with_format (C++ function)
chfl_trajectory_write (C++ function)
chfl_vector_t (C++ type)
chfl_version (C++ function)
chfl_warning_callback (C++ type)

F

Format::read (C++ function)
Format::read_step (C++ function)
Format::write (C++ function)
FormatFactory::by_extension (C++ function)
FormatFactory::format (C++ function)
FormatFactory::get (C++ function)
FormatFactory::register_extension (C++ function)
FormatFactory::register_format (C++ function)
Frame::add_atom (C++ function)
Frame::add_velocities (C++ function)
Frame::Frame (C++ function), [1], [2]
Frame::guess_topology (C++ function)
Frame::natoms (C++ function)
Frame::remove (C++ function)
Frame::reserve (C++ function)
Frame::resize (C++ function)
Frame::set_topology (C++ function)

S

Selection::evaluate (C++ function)
Selection::list (C++ function)
Selection::Selection (C++ function)
Selection::size (C++ function)

T

TextFile::create (C++ function)
Topology::add_bond (C++ function)
Topology::add_residue (C++ function)
Topology::angles (C++ function)
Topology::append (C++ function)
Topology::are_linked (C++ function)
Topology::bonds (C++ function)
Topology::dihedrals (C++ function)
Topology::isangle (C++ function)
Topology::isbond (C++ function)
Topology::isdihedral (C++ function)
Topology::remove (C++ function)
Topology::remove_bond (C++ function)
Topology::reserve (C++ function)
Topology::residue (C++ function)
Topology::resize (C++ function)
Trajectory::done (C++ function)
Trajectory::read (C++ function)
Trajectory::read_step (C++ function)
Trajectory::set_cell (C++ function)
Trajectory::set_topology (C++ function), [1]
Trajectory::Trajectory (C++ function)
Trajectory::write (C++ function)

U

UnitCell::raw_matricial (C++ function)
UnitCell::set_a (C++ function)
UnitCell::set_alpha (C++ function)
UnitCell::set_b (C++ function)
UnitCell::set_beta (C++ function)
UnitCell::set_c (C++ function)
UnitCell::set_gamma (C++ function)
UnitCell::shape (C++ function)
UnitCell::UnitCell (C++ function), [1], [2], [3], [4], [5], [6]
UnitCell::volume (C++ function)
UnitCell::wrap (C++ function)