xmol/base.h file

Contents

Namespaces

namespace xmol
Reworked original xmol.
namespace xmol::detail

Classes

struct xmol::detail::AtomNameTag
struct xmol::detail::ResidueNameTag
struct xmol::detail::ChainNameTag
struct xmol::BaseAtom
Storage of atomic data except coords.
struct xmol::BaseResidue
Storage of residue data.
struct xmol::BaseMolecule
Storage of molecule data.

Typedefs

using XYZ = xmol::geom::XYZ
using CoordEigenVector = XYZ::Vector_t
using CoordEigenMatrix = Eigen::Matrix<double, Eigen::Dynamic, 3, Eigen::RowMajor>
using CoordEigenMatrixf = Eigen::Matrix<float, Eigen::Dynamic, 3, Eigen::RowMajor>
using CoordEigenMatrixMap = Eigen::Map<CoordEigenMatrix>
using CoordEigenMatrixMapf = Eigen::Map<CoordEigenMatrixf>
using AtomId = int32_t
using AtomName = xmol::utils::ShortAsciiString<4, false, detail::AtomNameTag>
using ResidueName = xmol::utils::ShortAsciiString<3, false, detail::ResidueNameTag>
using MoleculeName = xmol::utils::ShortAsciiString<1, false, detail::ChainNameTag>