#include <iostream>
#include "mmdb_manager.h"

int main(int argc, char **argv) {

   CMMDBManager *MMDBManager = new CMMDBManager;

   int err;

   // Needed for the error message printing: 
   // MMDBManager->GetInputBuffer(S, lcount);
   // Used by reference and as a pointer.  Grimness indeed.
   int  error_count;
   char error_buf[500];

   //   Make routine initializations
   //
   InitMatType();

   MMDBManager->SetFlag ( MMDBF_IgnoreBlankLines |
			  MMDBF_IgnoreDuplSeqNum |
			  MMDBF_IgnoreNonCoorPDBErrors |
			  MMDBF_IgnoreRemarks);

   if (argc > 1) {

      std::string pdb_name(argv[1]);
   
      std::cout << "Reading coordinate file: " << pdb_name.c_str() << "\n";
      err = MMDBManager->ReadCoorFile((char *)pdb_name.c_str());
   
      if (err) {
	 // does_file_exist(pdb_name.c_str());
	 std::cout << "There was an error reading " << pdb_name.c_str() << ". \n";
	 std::cout << "ERROR " << err << " READ: "
	      << GetErrorDescription(err) << std::endl;
	 //
	 // This makes my stomach churn too. Sorry.
	 // 
	 MMDBManager->GetInputBuffer(error_buf, error_count);
	 if (error_count >= 0) { 
	    std::cout << "         LINE #" << error_count << "\n     "
		 << error_buf << std::endl << std::endl;
	 } else {
	    if (error_count == -1) { 
	       std::cout << "       CIF ITEM: " << error_buf << std::endl << std::endl;
	    }
	 }
	 //
      } else {
	 // we read the coordinate file OK.
	 //
	 switch (MMDBManager->GetFileType())  {
	 case MMDB_FILE_PDB    :  std::cout << " PDB"         ;
	    break;
	 case MMDB_FILE_CIF    :  std::cout << " mmCIF"       ; 
	    break;
	 case MMDB_FILE_Binary :  std::cout << " MMDB binary" ;
	    break;
	 default:
	    std::cout << " Unknown (report as a bug!)\n";
	 }
	 std::cout << " file " << pdb_name.c_str() << " has been read.\n";
      }
      
      char *str = MMDBManager->GetSpaceGroup();
      if (str) { 
	 std::string sgrp(str);
	 std::cout << "Spacegroup: " << sgrp << "\n";
      } else {
	 std::cout << "No Spacegroup found for this PDB file\n";
      }


      // Examine the atom names:
      int imod = 1;
      
      CModel *model_p = MMDBManager->GetModel(imod);
      CChain *chain_p;
      // run over chains of the existing MMDBManager
      int nchains = model_p->GetNumberOfChains();
      for (int ichain=0; ichain<nchains; ichain++) {
	 chain_p = model_p->GetChain(ichain);
	 int nres = chain_p->GetNumberOfResidues();
	 PCResidue residue_p;
	 CAtom *at;
	 for (int ires=0; ires<nres; ires++) { 
	    residue_p = chain_p->GetResidue(ires);
	    int n_atoms = residue_p->GetNumberOfAtoms();
	    
	    for (int iat=0; iat<n_atoms; iat++) {
	       at = residue_p->GetAtom(iat);
	       std::cout << "Atom name :" << at->name << ":\n";
	    }
	 }
      }
   }
   return 0; 
}