srv_pxml.cpp

//
// =================================================================
//
//    28.10.02   <--  Date of Last Modification.
//                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~
//  -------------------------------------------------------------------
//
//  **** Module  :  SRV_PXML <implementation>
//       ~~~~~~~~~
//  **** Project :  SSM Server
//       ~~~~~~~~~
//  **** Classes :  CSSMXML ( parsing SSM XML output )
//       ~~~~~~~~~
//
//  E. Krissinel, 2002
//
// =================================================================
//

#ifndef  __STRING_H
#include <string.h>
#endif

#ifndef  __SRV_PXML__
#include "srv_pxml.h"
#endif


// =================================================================

//  XML markup and symbolic data

#define xml_nofmatches   "NofMatches"

#define xml_ssm_input    "SSMInput"
#define xml_query        "query"
#define xml_target       "target"
#define xml_type         "type"
#define xml_pdbcode      "pdbcode"
#define xml_file         "file"

#define xml_match        "Match"
#define xml_mtarget      "Target"
#define xml_mquery       "Query"
#define xml_name         "name"
#define xml_chain        "chain"

#define xml_pscore       "P-score"
#define xml_zscore       "Z-score"
#define xml_rmsd         "RMSD"

#define xml_rtmatrix     "RTMatrix"
#define xml_rxx          "Rxx"
#define xml_rxy          "Rxy"
#define xml_rxz          "Rxz"
#define xml_tx           "Tx" 
#define xml_ryx          "Ryx"
#define xml_ryy          "Ryy"
#define xml_ryz          "Ryz"
#define xml_ty           "Ty" 
#define xml_rzx          "Rzx"
#define xml_rzy          "Rzy"
#define xml_rzz          "Rzz"
#define xml_tz           "Tz" 

#define xmld_coorfile    "Coordinate file"
#define xmld_pdbentry    "PDB entry"
#define xmld_pdbarchive  "PDB archive"
#define xmld_scoparchive "SCOP archive"
#define xmld_scopsubset  "SCOP subset"


CSSMXML::CSSMXML () : CXMLObject() {}
CSSMXML::~CSSMXML() {}


int CSSMXML::readSSMXML ( pstr FName )  {
pstr Data;
int  rc;

  lastMatchNo = -1;
  SSMMatch    = NULL;

  rc = ReadObject ( FName );
  if (rc)  nMatches = -1;
  else  {
    rc = GetData ( nMatches,xml_nofmatches,1 );
    if (rc)  nMatches = -1;  // error
  }

  targetcode = -1;
  targetID   = NULL;

  Data = GetData ( xml_ssm_input">"xml_target">"xml_type,1 );
  if (Data)  {
    if (!strcmp(Data,xmld_pdbentry))  {
      rc = GetData ( targetID,xml_ssm_input">"xml_target">"xml_pdbcode,1 );
      if (!rc)  targetcode = target_pdbentry;
    } else if (!strcmp(Data,xmld_coorfile))  {
      rc = GetData ( targetID,xml_ssm_input">"xml_target">"xml_file,1 );
      if (!rc)  targetcode = target_file;
    } else if (!strcmp(Data,xmld_pdbarchive))  {
      targetcode = target_pdb;
    } else if (!strcmp(Data,xmld_scoparchive))  {
      targetcode = target_scop;
    } else if (!strcmp(Data,xmld_scopsubset))  {
      targetcode = target_scopsubset;
    }
  } else
    rc = -4;

  return rc;
}

int CSSMXML::getNofMatches()  {
  return nMatches;
}

int CSSMXML::getQueryID ( pstr QueryID )  {
pstr Data;
  Data = GetData ( xml_ssm_input">"xml_query">"xml_type,1 );
  if (!Data)  return -1;
  if (!strcmp(Data,xmld_pdbentry))  {
    Data = GetData ( xml_ssm_input">"xml_query">"xml_pdbcode,1 );
    if (!Data)  return -2;
    strcpy ( QueryID,Data );
    return query_pdbentry;
  } else if (!strcmp(Data,xmld_coorfile))  {
    Data = GetData ( xml_ssm_input">"xml_query">"xml_file,1 );
    if (!Data)  return -3;
    strcpy ( QueryID,Data );
    return query_file;
  } else
    return -4;
}


int CSSMXML::getTargetID ( pstr TargetID, int matchNo )  {
pstr Data;
  if ((!SSMMatch) || (lastMatchNo!=matchNo))
    SSMMatch = GetObject ( xml_match,matchNo );
  if (!SSMMatch)  return -5;
  Data = SSMMatch->GetData ( xml_mtarget">"xml_name,1 );
  if (!Data)  return -6;
  strcpy ( TargetID,Data );
  return targetcode;
}


int CSSMXML::getQueryChain ( pstr chainID, int matchNo )  {
pstr Data;
  chainID[0] = char(0);
  if ((!SSMMatch) || (lastMatchNo!=matchNo))
    SSMMatch = GetObject ( xml_match,matchNo );
  if (!SSMMatch)  return -1;
  Data = SSMMatch->GetData ( xml_mquery">"xml_chain,1 );
  if (!Data)  return 1;
  strcpy ( chainID,Data );
  return  0;
}

int CSSMXML::getTargetChain ( pstr chainID, int matchNo )  {
pstr Data;
  chainID[0] = char(0);
  if ((!SSMMatch) || (lastMatchNo!=matchNo))
    SSMMatch = GetObject ( xml_match,matchNo );
  if (!SSMMatch)  return -1;
  Data = SSMMatch->GetData ( xml_mtarget">"xml_chain,1 );
  if (!Data)  return 1;
  strcpy ( chainID,Data );
  return  0;
}

realtype CSSMXML::getRPDBe ( int matchNo )  {
realtype V;
int      rc;
  if ((!SSMMatch) || (lastMatchNo!=matchNo))
    SSMMatch = GetObject ( xml_match,matchNo );
  if (!SSMMatch)  return -1.0;
  rc = SSMMatch->GetData ( V,xml_rmsd,1 );
  if (rc) return  -2.0;
  return V;
}

realtype CSSMXML::getPScore ( int matchNo )  {
realtype V;
int      rc;
  if ((!SSMMatch) || (lastMatchNo!=matchNo))
    SSMMatch = GetObject ( xml_match,matchNo );
  if (!SSMMatch)  return -1.0;
  rc = SSMMatch->GetData ( V,xml_pscore,1 );
  if (rc) return  -2.0;
  return V;
}

realtype CSSMXML::getZScore ( int matchNo )  {
realtype V;
int      rc;
  if ((!SSMMatch) || (lastMatchNo!=matchNo))
    SSMMatch = GetObject ( xml_match,matchNo );
  if (!SSMMatch)  return -1.0;
  rc = SSMMatch->GetData ( V,xml_zscore,1 );
  if (rc) return  -2.0;
  return V;
}

int CSSMXML::getRTMatrix ( mat44 & RT, int matchNo )  {
PCXMLObject RTMatrix;
  if ((!SSMMatch) || (lastMatchNo!=matchNo))
    SSMMatch = GetObject ( xml_match,matchNo );
  if (!SSMMatch)  return -1;
  RTMatrix = SSMMatch->GetObject ( xml_rtmatrix,1 );
  if (RTMatrix->GetData(RT[0][0],xml_rxx,1))  return 1;
  if (RTMatrix->GetData(RT[0][1],xml_rxy,1))  return 2;
  if (RTMatrix->GetData(RT[0][2],xml_rxz,1))  return 3;
  if (RTMatrix->GetData(RT[0][3],xml_tx ,1))  return 4;
  if (RTMatrix->GetData(RT[1][0],xml_ryx,1))  return 5;
  if (RTMatrix->GetData(RT[1][1],xml_ryy,1))  return 6;
  if (RTMatrix->GetData(RT[1][2],xml_ryz,1))  return 7;
  if (RTMatrix->GetData(RT[1][3],xml_ty ,1))  return 8;
  if (RTMatrix->GetData(RT[2][0],xml_rzx,1))  return 9;
  if (RTMatrix->GetData(RT[2][1],xml_rzy,1))  return 10;
  if (RTMatrix->GetData(RT[2][2],xml_rzz,1))  return 11;
  if (RTMatrix->GetData(RT[2][3],xml_tz ,1))  return 12;
  return 0;
}

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