5#ifndef GEMMI_METADATA_HPP_
6#define GEMMI_METADATA_HPP_
130 std::vector<BasicRefinementInfo>
bins;
173 return std::any_of(refinement.begin(), refinement.end(),
177 return std::any_of(refinement.begin(), refinement.end(),
212 return pt == PolymerType::PeptideL ||
pt == PolymerType::PeptideD;
216 return pt == PolymerType::Dna ||
pt == PolymerType::Rna ||
217 pt == PolymerType::DnaRnaHybrid;
250 std::uint8_t acc_index = 0;
251 std::uint16_t num = 0;
265 double reported_distance = 0.0;
274 char only_altloc =
'\0';
275 double reported_angle =
NAN;
307 UnknownHelix, RAlpha, ROmega, RPi, RGamma,
R310,
308 LAlpha, LOmega, LGamma,
Helix27, HelixPolyProlineNone
314 if (n >= 1 && n <= 10)
345 NA, CompleteIcosahedral, RepresentativeHelical, CompletePoint
348 bool author_determined =
false;
349 bool software_determined =
false;
351 int oligomeric_count = 0;
bool is_polypeptide(PolymerType pt)
bool is_polynucleotide(PolymerType pt)
std::vector< std::string > subchains
std::vector< std::string > chains
std::vector< Operator > operators
std::string oligomeric_details
std::vector< Gen > generators
std::string software_name
Assembly(const std::string &name_)
std::vector< DiffractionInfo > diffractions
std::string monochromator
std::string collection_date
std::string scattering_type
std::string detector_make
std::string accession_code
SeqId::OptionalNum label_seq_begin
Entity(std::string name_) noexcept
std::vector< std::string > sifts_unp_acc
List of SIFTS Uniprot ACs referenced by SiftsUnpResidue::acc_index.
std::vector< std::string > subchains
std::vector< std::string > full_sequence
SEQRES or entity_poly_seq with microheterogeneity as comma-separated names.
static std::string first_mon(const std::string &mon_list)
std::vector< DbRef > dbrefs
std::vector< std::string > diffraction_ids
std::vector< ReflectionsInfo > shells
ReflectionsInfo reflections
void set_helix_class_as_int(int n)
std::string parent_comp_id
Coordinates in Angstroms - orthogonal (Cartesian) coordinates.
Restr(const std::string &name_)
std::string rfree_selection_method
double dpi_cruickshank_rfree
std::string cross_validation_method
std::vector< BasicRefinementInfo > bins
std::vector< TlsGroup > tls_groups
std::vector< Restr > restr_stats
std::vector< Strand > strands
Sheet(std::string sheet_id) noexcept
Reference to UniProt residue, based on _pdbx_sifts_xref_db.
Classification classification
std::vector< Selection > selections