Enum pdbtbx::Term

#[non_exhaustive]
pub enum Term {
    ModelSerialNumber(usize),
    ModelSerialNumberRange(usize, usize),
    ChainId(String),
    ChainIdRange(String, String),
    ResidueSerialNumber(isize),
    ResidueSerialNumberRange(isize, isize),
    ResidueInsertionCode(Option<String>),
    ResidueId(isize, Option<String>),
    ConformerName(String),
    ConformerAlternativeLocation(Option<String>),
    ConformerId(String, Option<String>),
    AtomSerialNumber(usize),
    AtomSerialNumberRange(usize, usize),
    AtomName(String),
    Element(Element),
    BFactor(f64),
    BFactorRange(f64, f64),
    Occupancy(f64),
    OccupancyRange(f64, f64),
    Backbone,
    SideChain,
    Hetero,
}

Any parameter to use in a Search for atom(s) in a PDB. For position related searches look into the rstar crate which can be combined with this crate using the rstar feature, see PDB::create_atom_rtree and PDB::create_hierarchy_rtree. The rstar crate makes spatial lookup and queries way faster and feasible to use in high performance environments.

Variants (Non-exhaustive)

Non-exhaustive enums could have additional variants added in future. Therefore, when matching against variants of non-exhaustive enums, an extra wildcard arm must be added to account for any future variants.

ModelSerialNumber(usize)

The model serial number, only used in (NMR) PDB files with multiple states of a protein, see Model::serial_number.

ModelSerialNumberRange(usize, usize)

Search for a range of model serial numbers, starting at the first number and ending with the last number inclusive.

ChainId(String)

The chain id eg A, see Chain::id.

ChainIdRange(String, String)

Search for a range of chain ids, using the Ord implementation of std::str https://doc.rust-lang.org/std/primitive.str.html#impl-Ord, starting at the first number and ending with the last number inclusive.

ResidueSerialNumber(isize)

The residue serial number, see Residue::serial_number.

ResidueSerialNumberRange(isize, isize)

Search for a range of residue serial numbers, starting at the first number and ending with the last number inclusive.

ResidueInsertionCode(Option<String>)

The residue insertion code eg Some("A"), see Residue::insertion_code.

ResidueId(isize, Option<String>)

The residue serial number and insertion code combined, see Residue::id.

ConformerName(String)

The conformer name eg ALA, see Conformer::name.

ConformerAlternativeLocation(Option<String>)

The conformer alternative location eg Some("A"), see Conformer::alternative_location.

ConformerId(String, Option<String>)

The conformer name and alternative location combined, see Conformer::id.

AtomSerialNumber(usize)

The atom serial number, see Atom::serial_number.

AtomSerialNumberRange(usize, usize)

A range of atoms based on serial number starting at the first number and ending with the last number inclusive.

AtomName(String)

The atom name eg CA, see Atom::name.

Element(Element)

The element eq C, see Atom::element, see Element.

BFactor(f64)

Atom b factor, see Atom::b_factor.

BFactorRange(f64, f64)

Atom B factor range starting at the first number and ending with the last number inclusive.

Occupancy(f64)

Atom occupancy, see Atom::occupancy.

OccupancyRange(f64, f64)

Atom occupancy range starting at the first number and ending with the last number inclusive.

Backbone

Search for backbone atoms, this means that Conformer::is_amino_acid is true and Atom::is_backbone is true.

SideChain

Search for side chain atoms, this means that Conformer::is_amino_acid is true and Atom::is_backbone is false.

Hetero

Search for hetero atoms, this means that Atom::hetero is true.

Trait Implementations

impl BitAnd<Search> for Term

type Output = Search

The resulting type after applying the & operator.

fn bitand(self, rhs: Search) -> Self::Output

Performs the & operation.

impl BitAnd<Term> for Search

type Output = Search

The resulting type after applying the & operator.

fn bitand(self, rhs: Term) -> Self::Output

Performs the & operation.

impl BitAnd<Term> for Term

type Output = Search

The resulting type after applying the & operator.

fn bitand(self, rhs: Self) -> Self::Output

Performs the & operation.

impl BitOr<Search> for Term

type Output = Search

The resulting type after applying the | operator.

fn bitor(self, rhs: Search) -> Self::Output

Performs the | operation.

impl BitOr<Term> for Search

type Output = Search

The resulting type after applying the | operator.

fn bitor(self, rhs: Term) -> Self::Output

Performs the | operation.

impl BitOr<Term> for Term

type Output = Search

The resulting type after applying the | operator.

fn bitor(self, rhs: Self) -> Self::Output

Performs the | operation.

impl BitXor<Search> for Term

type Output = Search

The resulting type after applying the ^ operator.

fn bitxor(self, rhs: Search) -> Self::Output

Performs the ^ operation.

impl BitXor<Term> for Search

type Output = Search

The resulting type after applying the ^ operator.

fn bitxor(self, rhs: Term) -> Self::Output

Performs the ^ operation.

impl BitXor<Term> for Term

type Output = Search

The resulting type after applying the ^ operator.

fn bitxor(self, rhs: Self) -> Self::Output

Performs the ^ operation.

impl Clone for Term

fn clone(&self) -> Term

Returns a copy of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for Term

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Not for Term

type Output = Search

The resulting type after applying the ! operator.

fn not(self) -> Self::Output

Performs the unary ! operation.