cif::pdb::NUCLSQ_Remark3Parser Class Reference

Inheritance diagram for cif::pdb::NUCLSQ_Remark3Parser:

Collaboration diagram for cif::pdb::NUCLSQ_Remark3Parser:

Public Member Functions
	NUCLSQ_Remark3Parser (const std::string &name, const std::string &expMethod, PDBRecord *r, cif::datablock &db)
virtual void	fixup ()

Detailed Description

Definition at line 419 of file pdb2cif_remark_3.cpp.

Constructor & Destructor Documentation

NUCLSQ_Remark3Parser()

cif::pdb::NUCLSQ_Remark3Parser::NUCLSQ_Remark3Parser ( const std::string &  name, const std::string &  expMethod, PDBRecord *  r, cif::datablock &  db  )

inline

Definition at line 422 of file pdb2cif_remark_3.cpp.

        : Remark3Parser(name, expMethod, r, db, kNUCLSQ_Template, sizeof(kNUCLSQ_Template) / sizeof(TemplateLine),
              std::regex(R"((NUCLSQ)(?: (\d+(?:\.\d+)?))?)"))
    {
    }

Member Function Documentation

fixup()

virtual void cif::pdb::NUCLSQ_Remark3Parser::fixup ( )

inlinevirtual

Definition at line 428 of file pdb2cif_remark_3.cpp.

    {
        for (auto r : mDb["refine_hist"])
        {
            try
            {
                int p, n, h, s;
                cif::tie(p, n, h, s) = r.get("pdbx_number_atoms_protein", "pdbx_number_atoms_nucleic_acid", "pdbx_number_atoms_ligand", "number_atoms_solvent");
                r["number_atoms_total"] = p + n + h + s;
            }
            catch (...)
            {
            }
        }
    }

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The documentation for this class was generated from the following file:

• libcifpp/src/pdb/pdb2cif_remark_3.cpp