Classes

• namespace std
  • struct hash<xmol::utils::ShortAsciiString<N, ALLOW_TRUNC, T>>
• namespace xmol Reworked original xmol.
  • namespace algo
    • namespace heuristic Handy heuristics.
  • namespace detail
    • struct AtomNameTag
    • struct ChainNameTag
    • struct InsertionCodeTag
    • struct ResidueNameTag
    • struct TorsionAngleNameTag
  • namespace future Backported C++20 features.
    • struct Span Analogue of C++20 std::span.
  • namespace geom Atomic-agnostic geom procedures.
    • namespace affine
      • struct EulerAngles
      • class Rotation3d
      • class Transformation3d
      • class Translation3d
      • class UniformScale3d
      • struct YawPitchRoll
    • namespace literals
    • struct AngleValue
    • struct Degrees
    • class GeomError
    • struct Radians
    • class SpatialIndex
    • class UnitCell
      • struct ClosestImage
    • class XYZ
  • namespace io
    • namespace pdb
      • namespace detail
        • struct RecordFieldNameTag
        • struct RecordTypeNameTag
      • class AlteredPdbRecords
      • class basic_PdbRecords
      • class PdbException
      • class PdbFieldReadError
      • class PdbLine
        • struct StrPtr
      • class PdbReader
      • class PdbRecordType
      • class PdbUknownRecord
      • class PdbUknownRecordField
      • class PdbWriter
      • class StandardPdbRecords
    • namespace xdr
      • class XdrHandle
      • struct XtcHeader
      • class XtcReader
      • class XtcWriter
    • class AmberNetCDF
    • class GromacsXtcFile Gromacs .xtc input file.
    • class PdbInputFile PDB file.
    • class PdbReadError
    • class TrjtoolDatFile 3d MD coordinates in "trjtool .dat" format
      • struct Header
      • union HeaderUnion
    • class XtcReadError
    • class XtcWriteError
  • namespace predicates
    • class AtomIdPredicateGenerator
    • class AtomNamePredicateGenerator
    • class AtomPredicate
    • class MoleculeNamePredicateGenerator
    • class MoleculePredicate
    • class ResidueIdPredicateGenerator
    • class ResidueNamePredicateGenerator
    • class ResiduePredicate
  • namespace proxy Proxy references to frame.
    • namespace smart Reference counting (smart) proxies.
      • class AtomSmartRef Smart Atom reference proxy.
      • class AtomSmartSelection AtomSelection with parent frame changes tracking.
      • class AtomSmartSpan AtomSpan with parent frame changes tracking.
      • class CoordSmartSelection CoordSelection with parent frame changes tracking.
      • class CoordSmartSpan CoordSpan with parent frame changes tracking.
      • class FrameObserver
      • class MoleculeSmartRef Smart Molecule reference proxy.
      • class MoleculeSmartSelection MoleculeSelection with parent frame changes tracking.
      • class MoleculeSmartSpan MoleculeSpan with parent frame changes tracking.
      • class ResidueSmartRef Smart Residue reference proxy.
      • class ResidueSmartSelection ResidueSelection with parent frame changes tracking.
      • class ResidueSmartSpan ResidueSpan with parent frame changes tracking.
    • class AtomRef Lightweight atom reference.
    • class AtomSelection
    • class AtomSpan
    • class CoordRef Lightweight XYZ reference.
    • class CoordSelection
    • class CoordSelectionSizeMismatchError
    • class CoordSpan
    • class MoleculeRef Lightweight molecule reference.
    • class MoleculeSelection
    • class MoleculeSpan
    • class MultipleFramesSelectionError
    • class ProxySpan
      • class Iterator
    • class ResidueRef Lightweight residue reference.
    • class ResidueSelection
    • class ResidueSpan
    • class Selection
      • struct EqualComparator
      • struct LessThanComparator
    • class SpanSplitError Indicates span split.
  • namespace trajectory MD trajectory classes and utilites.
    • class Trajectory
      • class Iterator Iterator[Trajectory::Frame] (don't confuse with Frame)
      • struct Position
      • struct Sentinel
      • class Slice Reference to trajectory slice.
    • class TrajectoryDoubleTraverseError
    • class TrajectoryInputFile Forward read-only re-enterable trajectory coordinate file.
  • namespace utils
    • namespace functional_objects
    • class DeadObserverAccessError
    • class DeadObserverAccessErrorT
    • class Observable Implements base primitives for observable entity.
    • struct parse_fixed_precision_fn
    • struct functional_objects::parse_fixed_precision_fn___
    • struct functional_objects::parse_fixed_precision_fn___
    • class ShortAsciiString
  • struct BaseAtom Storage of atomic data except coords.
  • struct BaseMolecule Storage of molecule data.
  • struct BaseResidue Storage of residue data.
  • class DeadFrameAccessError
  • class Frame Molecular frame, owns all molecular data.
  • struct ResidueId
  • class TorsionAngle
  • class TorsionAngleFactory