/// <summary>
/// Returns a PDB record class instance of the appropriate type for the given line of PDB file.
/// </summary>
/// <param name="columnFormatLine"></param>
/// <returns></returns>
public ProteinDataBankFileRecord ProteinDataBaseFileLineRecord(string columnFormatLine)
{
ProteinDataBankFileRecord result = null;
string recordType = ProteinDataBankFileLineRecordType(columnFormatLine);
if ((TargetRecordTypes != null) && (TargetRecordTypes.Length > 0) && (!TargetRecordTypes.Contains(recordType)))
{
return(result);
}
switch (recordType)
{
case "HEADER":
result = new HEADER_Record(columnFormatLine);
break;
case "OBSLTE":
result = new OBSLTE_Record(columnFormatLine);
break;
case "TITLE":
result = new TITLE_Record(columnFormatLine);
break;
case "SPLIT":
result = new SPLIT_Record(columnFormatLine);
break;
case "CAVEAT":
result = new CAVEAT_Record(columnFormatLine);
break;
case "COMPND":
result = new COMPND_Record(columnFormatLine);
break;
case "SOURCE":
result = new SOURCE_Record(columnFormatLine);
break;
case "KEYWDS":
result = new KEYWDS_Record(columnFormatLine);
break;
case "EXPDTA":
result = new EXPDTA_Record(columnFormatLine);
break;
case "NUMMDL":
result = new NUMMDL_Record(columnFormatLine);
break;
case "MDLTYP":
result = new MDLTYP_Record(columnFormatLine);
break;
case "AUTHOR":
result = new AUTHOR_Record(columnFormatLine);
break;
case "REVDAT":
result = new REVDAT_Record(columnFormatLine);
break;
case "SPRSDE":
result = new SPRSDE_Record(columnFormatLine);
break;
case "JRNL":
result = new JRNL_DOI_Record(columnFormatLine);
if (((JRNL_DOI_Record)result).DOI.FieldValue == JRNL_DOI_Record.DOI_Field.FieldName)
{
break;
}
result = new JRNL_PMID_Record(columnFormatLine);
if (((JRNL_PMID_Record)result).PMID.FieldValue == JRNL_PMID_Record.PMID_Field.FieldName)
{
break;
}
result = new JRNL_PUBL_Record(columnFormatLine);
if (((JRNL_PUBL_Record)result).PUBL.FieldValue == JRNL_PUBL_Record.PUBL_Field.FieldName)
{
break;
}
result = new JRNL_REFN_ISSN_or_ESSN_Record(columnFormatLine);
if (((JRNL_REFN_ISSN_or_ESSN_Record)result).REFN.FieldValue == JRNL_REFN_ISSN_or_ESSN_Record.REFN_Field.FieldName && (((JRNL_REFN_ISSN_or_ESSN_Record)result).ISSN_or_ESSN.FieldValue.ToUpperInvariant() == "ISSN" || ((JRNL_REFN_ISSN_or_ESSN_Record)result).ISSN_or_ESSN.FieldValue.ToUpperInvariant() == "ESSN"))
{
break;
}
result = new JRNL_REF_V_Record(columnFormatLine);
if (((JRNL_REF_V_Record)result).REF.FieldValue == JRNL_REF_V_Record.REF_Field.FieldName && ((JRNL_REF_V_Record)result).V_.FieldValue == JRNL_REF_V_Record.V_Field.FieldName)
{
break;
}
result = new JRNL_REFN_Record(columnFormatLine);
if (((JRNL_REFN_Record)result).REFN.FieldValue == JRNL_REFN_Record.REFN_Field.FieldName)
{
break;
}
result = new JRNL_REF_TOBEPUBLISHED_Record(columnFormatLine);
if (((JRNL_REF_TOBEPUBLISHED_Record)result).REF.FieldValue == JRNL_REF_TOBEPUBLISHED_Record.REF_Field.FieldName)
{
break;
}
result = new JRNL_Record(columnFormatLine);
break;
case "REMARK":
result = new REMARK_1_AUTH_Record(columnFormatLine);
if (((REMARK_1_AUTH_Record)result)._1.FieldValue == REMARK_1_AUTH_Record._1_Field.FieldName && ((REMARK_1_AUTH_Record)result).AUTH.FieldValue == REMARK_1_AUTH_Record.AUTH_Field.FieldName)
{
break;
}
result = new REMARK_1_PUBL_Record(columnFormatLine);
if (((REMARK_1_PUBL_Record)result)._1.FieldValue == REMARK_1_PUBL_Record._1_Field.FieldName && ((REMARK_1_PUBL_Record)result).PUBL.FieldValue == REMARK_1_PUBL_Record.PUBL_Field.FieldName)
{
break;
}
result = new REMARK_1_REF_V_Record(columnFormatLine);
if (((REMARK_1_REF_V_Record)result)._1.FieldValue == REMARK_1_REF_V_Record._1_Field.FieldName && ((REMARK_1_REF_V_Record)result).REF.FieldValue == REMARK_1_REF_V_Record.REF_Field.FieldName && ((REMARK_1_REF_V_Record)result).V_.FieldValue == REMARK_1_REF_V_Record.V_Field.FieldName)
{
break;
}
result = new REMARK_1_REFERENCE_Record(columnFormatLine);
if (((REMARK_1_REFERENCE_Record)result)._1.FieldValue == REMARK_1_REFERENCE_Record._1_Field.FieldName && ((REMARK_1_REFERENCE_Record)result).REFERENCE.FieldValue == REMARK_1_REFERENCE_Record.REFERENCE_Field.FieldName)
{
break;
}
result = new REMARK_1_REFN_ISSN_or_ESSN_Record(columnFormatLine);
if (((REMARK_1_REFN_ISSN_or_ESSN_Record)result)._1.FieldValue == REMARK_1_REFN_ISSN_or_ESSN_Record._1_Field.FieldName && ((REMARK_1_REFN_ISSN_or_ESSN_Record)result).REFN.FieldValue == REMARK_1_REFN_ISSN_or_ESSN_Record.REFN_Field.FieldName && (((REMARK_1_REFN_ISSN_or_ESSN_Record)result).ISSN_or_ESSN.FieldValue == "ISSN" || ((REMARK_1_REFN_ISSN_or_ESSN_Record)result).ISSN_or_ESSN.FieldValue == "ESSN"))
{
break;
}
result = new REMARK_1_REFN_Record(columnFormatLine);
if (((REMARK_1_REFN_Record)result)._1.FieldValue == REMARK_1_REFN_Record._1_Field.FieldName && ((REMARK_1_REFN_Record)result).REFN.FieldValue == REMARK_1_REFN_Record.REFN_Field.FieldName)
{
break;
}
result = new REMARK_1_TITL_Record(columnFormatLine);
if (((REMARK_1_TITL_Record)result)._1.FieldValue == REMARK_1_TITL_Record._1_Field.FieldName && ((REMARK_1_TITL_Record)result).TITL.FieldValue == REMARK_1_TITL_Record.TITL_Field.FieldName)
{
break;
}
result = new REMARK_2_RESOLUTION_ANGSTROMS_Record(columnFormatLine);
if (((REMARK_2_RESOLUTION_ANGSTROMS_Record)result)._2.FieldValue == REMARK_2_RESOLUTION_ANGSTROMS_Record._2_Field.FieldName && ((REMARK_2_RESOLUTION_ANGSTROMS_Record)result).RESOLUTION_.FieldValue == REMARK_2_RESOLUTION_ANGSTROMS_Record.RESOLUTION_Field.FieldName && ((REMARK_2_RESOLUTION_ANGSTROMS_Record)result).ANGSTROMS_.FieldValue == REMARK_2_RESOLUTION_ANGSTROMS_Record.ANGSTROMS_Field.FieldName)
{
break;
}
result = new REMARK_2_RESOLUTION_NOTAPPLICABLE_Record(columnFormatLine);
if (((REMARK_2_RESOLUTION_NOTAPPLICABLE_Record)result)._2.FieldValue == REMARK_2_RESOLUTION_NOTAPPLICABLE_Record._2_Field.FieldName && ((REMARK_2_RESOLUTION_NOTAPPLICABLE_Record)result).RESOLUTION_NOT_APPLICABLE_.FieldValue == REMARK_2_RESOLUTION_NOTAPPLICABLE_Record.RESOLUTION_NOT_APPLICABLE_Field.FieldName)
{
break;
}
result = new REMARK_1_REF_TOBEPUBLISHED_Record(columnFormatLine);
if (((REMARK_1_REF_TOBEPUBLISHED_Record)result)._1.FieldValue == REMARK_1_REF_TOBEPUBLISHED_Record._1_Field.FieldName && ((REMARK_1_REF_TOBEPUBLISHED_Record)result).REF.FieldValue == REMARK_1_REF_TOBEPUBLISHED_Record.REF_Field.FieldName && ((REMARK_1_REF_TOBEPUBLISHED_Record)result).TO_BE_PUBLISHED.FieldValue == REMARK_1_REF_TOBEPUBLISHED_Record.TO_BE_PUBLISHED_Field.FieldName)
{
break;
}
result = new REMARK_Record(columnFormatLine);
break;
case "DBREF":
result = new DBREF_Record(columnFormatLine);
break;
case "DBREF1":
result = new DBREF1_Record(columnFormatLine);
break;
case "DBREF2":
result = new DBREF2_Record(columnFormatLine);
break;
case "SEQADV":
result = new SEQADV_Record(columnFormatLine);
break;
case "SEQRES":
result = new SEQRES_Record(columnFormatLine);
break;
case "MODRES":
result = new MODRES_Record(columnFormatLine);
break;
case "HET":
result = new HET_Record(columnFormatLine);
break;
case "HETNAM":
result = new HETNAM_Record(columnFormatLine);
break;
case "HETSYN":
result = new HETSYN_Record(columnFormatLine);
break;
case "FORMUL":
result = new FORMUL_Record(columnFormatLine);
break;
case "HELIX":
result = new HELIX_Record(columnFormatLine);
break;
case "SHEET":
result = new SHEET_Record(columnFormatLine);
break;
case "SSBOND":
result = new SSBOND_CYS_CYS_Record(columnFormatLine);
break;
case "LINK":
result = new LINK_Record(columnFormatLine);
break;
case "CISPEP":
result = new CISPEP_Record(columnFormatLine);
break;
case "SITE":
result = new SITE_Record(columnFormatLine);
break;
case "CRYST1":
result = new CRYST1_Record(columnFormatLine);
break;
case "ORIGX1":
result = new ORIGX1_Record(columnFormatLine);
break;
case "ORIGX2":
result = new ORIGX2_Record(columnFormatLine);
break;
case "ORIGX3":
result = new ORIGX3_Record(columnFormatLine);
break;
case "SCALE1":
result = new SCALE1_Record(columnFormatLine);
break;
case "SCALE2":
result = new SCALE2_Record(columnFormatLine);
break;
case "SCALE3":
result = new SCALE3_Record(columnFormatLine);
break;
case "MTRIX1":
result = new MTRIX1_Record(columnFormatLine);
break;
case "MTRIX2":
result = new MTRIX2_Record(columnFormatLine);
break;
case "MTRIX3":
result = new MTRIX3_Record(columnFormatLine);
break;
case "MODEL":
result = new MODEL_Record(columnFormatLine);
break;
case "ATOM":
result = new ATOM_Record(columnFormatLine);
break;
case "ANISOU":
result = new ANISOU_Record(columnFormatLine);
break;
case "TER":
result = new TER_Record(columnFormatLine);
break;
case "HETATM":
result = new HETATM_Record(columnFormatLine);
break;
case "ENDMDL":
result = new ENDMDL_Record(columnFormatLine);
break;
case "CONECT":
result = new CONECT_Record(columnFormatLine);
break;
case "MASTER":
result = new MASTER_0_Record(columnFormatLine);
break;
case "END":
result = new END_Record(columnFormatLine);
break;
}
return(result);
}
public static ATOM_Record ConvertHetatmRecordToAtomRecord(HETATM_Record hetatm)
{
var atom = new ATOM_Record("ATOM " + hetatm.ColumnFormatLine.Substring(6));
return(atom);
}
