Last modified 3 years ago
Last modified on 01/21/16 13:49:14
Input file pqc keyword #ende
Description
TODO: Add description.
Parameters
TODO: Add parameters.
Documentation from doxygen
None.
Used in benchmarks
- C/Engesgaard/2Kin/slow_kin_pqc/pds.pqc
- C/Engesgaard/2Kin/slow_kin_pqc_krc/pds.pqc
- C/Engesgaard/Additional_pqc_output/pds.pqc
- C/Engesgaard/Kin/fast_kin_pqc/pds.pqc
- C/Engesgaard/Kin/fast_kin_pqc_krc/pds.pqc
- C/Engesgaard/Kin/slow_kin_pqc/pds.pqc
- C/Engesgaard/Kin/slow_kin_pqc_krc/pds.pqc
- C/Engesgaard/equi/calcite_pqc_volume/pds.pqc
- C/Engesgaard/equi/calcite_pqc_weight/pds.pqc
- C/IPhreeqcCoupling/isotope_fractionation/1d_isofrac.pqc
- C/Poro-Perm_Update/calcite_vol/cmp8_Ca.pqc
- C/Poro-Perm_Update/calcite_weight/cmp8_Ca.pqc
- C/calcite_pqc/pds.pqc
- C/ion_exchange/pqc1.pqc
Source code reading this keyword from Input files
FEM/rf_react.cpp line 607
607: {
608: *out_buff << "SOLUTION " << index + 1 << " #New Version " << "\n";
609: *out_buff << "#GRID " << index + 1 << "\n";
610: while(line_string.find("#ende") == string::npos)
611: {
612: pqc_infile.getline(line,MAX_ZEILE);
613: line_string = line;
656: else // Write units and temperature in the standard case
657: if (line_string.find("pH") == string::npos &&
658: line_string.find("pe") == string::npos &&
659: line_string.find("#ende") == string::npos)
660: *out_buff << line_string << "\n";
661: } // end while
662:
694: if(line_string.find("EQUILIBRIUM_PHASES") != string::npos)
695: {
696: *out_buff << "\n" << "EQUILIBRIUM_PHASES " << index + 1 << "\n";
697: while(line_string.find("#ende") == string::npos)
698: {
699: pqc_infile.getline(line,MAX_ZEILE);
700: line_string = line;
733: if(line_string.find("EXCHANGE") != string::npos) // keyword found
734: {
735: *out_buff << "\n" << "EXCHANGE " << index + 1 << "\n";
736: while(line_string.find("#ende") == string::npos)
737: {
738: pqc_infile.getline(line,MAX_ZEILE);
739: line_string = line;
791: }
792: // calculate Volume of gas phase in [mol * Pa * m^3 / K / mol * K / Pa = m^3 ]
793: volume = mm * 8.314472 * (273.15 + temp) / press;
794: while(line_string.find("#ende") == string::npos)
795: {
796: pqc_infile.getline(line,MAX_ZEILE);
797: line_string = line;
834: if(firstinput/*index < 1*/)
835: {
836: *out_buff << "\n" << "SELECTED_OUTPUT" << "\n";
837: while(line_string.find("#ende") == string::npos)
838: {
839: pqc_infile.getline(line,MAX_ZEILE);
840: line_string = line;
853: if(firstinput/*index < 1*/)
854: {
855: *out_buff << "\n" << "PRINT" << "\n";
856: while(line_string.find("#ende") == string::npos)
857: {
858: pqc_infile.getline(line,MAX_ZEILE);
859: line_string = line;
951: {
952: pqc_infile.getline(line,MAX_ZEILE);
953: line_string = line;
954: if((line_string.find("#ende") != string::npos) ||
955: (line_string.find("END") != string::npos))
956: break;
957: }
976: if(firstinput/*index < 1*/)
977: {
978: *out_buff << "\n" << "KNOBS" << "\n";
979: while(line_string.find("#ende") == string::npos)
980: {
981: pqc_infile.getline(line,MAX_ZEILE);
982: line_string = line;
988: if(line_string.find("KINETICS")!=string::npos){
989: stepsflag = 0;
990: *out_buff << "\n" << "KINETICS " << index+1 << "\n";
991: while(line_string.find("#ende")==string::npos){
992: pqc_infile.getline(line,MAX_ZEILE);
993: line_string = line;
994: // Check if this is a new kinetic formulation, i.e. kinetics name = speciesname (phase)
1055: // Schleife ueber Keyword RATES
1056: if(line_string.find("RATES")!=string::npos){
1057: *out_buff << "\n" << "RATES " << index+1 << "\n";
1058: while(line_string.find("#ende")==string::npos){
1059: pqc_infile.getline(line,MAX_ZEILE);
1060: line_string = line;
1061: *out_buff << line_string << "\n";
1925: //WW pos = 0;
1926: //WW beginn = 1;
1927: p = 0;
1928: while ((!strstr(str, "END")) && (!strstr(str, "#ende"))
1929: && StringReadStr(&sub, str, &p))
1930: {
1931: if (strcmp(sub, "SOLUTION") == 0)
1930: {
1931: if (strcmp(sub, "SOLUTION") == 0)
1932: {
1933: while (fgets(str, 256, indatei) && (!strstr(str, "#ende")))
1934: {
1935: if (strstr(str, "# comp"))
1936: {
1959: }
1960: else if (strcmp(sub, "EQUILIBRIUM_PHASES") == 0)
1961: {
1962: while (fgets(str, 256, indatei) && (!strstr(str, "#ende")))
1963: if (strstr(str, "# comp"))
1964: {
1965: StringReadStr(&sub, str, &p);
1969: } /*end if*/
1970: else if (strcmp(sub, "EXCHANGE") == 0)
1971: {
1972: while (fgets(str, 256, indatei) && (!strstr(str, "#ende")))
1973: if (strstr(str, "# comp"))
1974: {
1975: StringReadStr(&sub, str, &p);
1980: //SB:neu
1981: else if (strcmp(sub, "SELECTED_OUTPUT") == 0)
1982: {
1983: while (fgets(str, 256, indatei) && (!strstr(str, "#ende")))
1984: if (strstr(str, "-file"))
1985: {
1986: DisplayMsgLn("-file in *.pqc found");
1993:
1994: else
1995: {
1996: while (fgets(str, 256, indatei) && (!strstr(str, "#ende")))
1997: {
1998: }
1999: break;
2071: // the database name is listed on the same line as the DATABASE keyword
2072: in.str(line_string);
2073: in >> dummy >> this->file_name_database;
2074: while(line_string.find("#ende")==string::npos)
2075: {
2076: pqc_infile->getline(line,MAX_ZEILE);
2077: line_string = line;
2082: // keyword found
2083: if(line_string.find("SOLUTION") != string::npos)
2084: {
2085: while(line_string.find("#ende") == string::npos)
2086: {
2087: pqc_infile->getline(line,MAX_ZEILE);
2088: line_string = line;
2192: // keyword found
2193: if(line_string.find("EQUILIBRIUM_PHASES") != string::npos)
2194: {
2195: while(line_string.find("#ende") == string::npos)
2196: {
2197: pqc_infile->getline(line,MAX_ZEILE);
2198: line_string = line;
2218: // keyword found
2219: if(line_string.find("EXCHANGE") != string::npos)
2220: {
2221: while(line_string.find("#ende") == string::npos)
2222: {
2223: pqc_infile->getline(line,MAX_ZEILE);
2224: line_string = line;
2244: // keyword found
2245: if(line_string.find("GAS_PHASE") != string::npos)
2246: {
2247: while(line_string.find("#ende") == string::npos)
2248: {
2249: pqc_infile->getline(line,MAX_ZEILE);
2250: line_string = line;
2268: }
2269: /* Schleife ber Keyword KINETICS */
2270: if(line_string.find("KINETICS")!=string::npos){
2271: while(line_string.find("#ende")==string::npos){
2272: pqc_infile->getline(line,MAX_ZEILE);
2273: line_string = line;
2274: if (line_string.find("# comp") !=string::npos){
2312: /* Schleife ber Keyword ADDITIONAL_OUTPUT */
2313: //if(line_string.find("SECONDARY_SPECIES_OUTPUT")!=string::npos) { // keyword found
2314: if(line_string.find("ADDITIONAL_OUTPUT")!=string::npos) { // keyword found
2315: while(line_string.find("#ende")==string::npos){
2316: in.clear();
2317: pqc_infile->getline(line,MAX_ZEILE);
2318: line_string = line;
2333: }
2334: /* Schleife ber Keyword ADDITIONAL_PUNCH */
2335: if(line_string.find("ADDITIONAL_PUNCH")!=string::npos) { // keyword found
2336: while(line_string.find("#ende")==string::npos){
2337: in.clear();
2338: pqc_infile->getline(line,MAX_ZEILE);
2339: line_string = line;
2337: in.clear();
2338: pqc_infile->getline(line,MAX_ZEILE);
2339: line_string = line;
2340: if (line_string.find("#ende") ==string::npos)
2341: additional_punches.push_back(line_string);
2342: }
2343: }
2344: /* Schleife ueber Keyword SELECTED_OUTPUT */
2345: // keyword found
2346: if(line_string.find("SELECTED_OUTPUT") != string::npos)
2347: while(line_string.find("#ende") == string::npos)
2348: {
2349: pqc_infile->getline(line,MAX_ZEILE);
2350: line_string = line;
2435: p = 0;
2436: while ((!strstr(str,
2437: "END")) &&
2438: (!strstr(str, "#ende")) && StrOnlyReadStr(sub, str, f, /*TFString,*/ &p))
2439: {
2440: LineFeed(f);
2441: found = 0;
2454: LineFeed(f);
2455:
2456: // while (fgets(str,256,indatei) && (!StrTestDollar(str, &pos))){
2457: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2458: {
2459: if ((!strstr(str, "# comp")) && (!strstr(str, "# temp")))
2460: // DisplayMsgLn(" #ende and # not found");
2670: FilePrintString(f, "SOLUTION_SPECIES ");
2671: FilePrintInt(f, index + 1);
2672: LineFeed(f);
2673: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2674: FilePrintString(f, str);
2675: }
2676:
2682: FilePrintString(f, "SOLUTION_MASTER_SPECIES ");
2683: FilePrintInt(f, index + 1);
2684: LineFeed(f);
2685: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2686: FilePrintString(f, str);
2687: }
2688:
2694: FilePrintString(f, "EQUILIBRIUM_PHASES ");
2695: FilePrintInt(f, index + 1);
2696: LineFeed(f);
2697: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2698: {
2699: pos = 0;
2700: p = 0;
2733: FilePrintString(f, "KINETICS ");
2734: FilePrintInt(f, index + 1);
2735: LineFeed(f);
2736: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2737: {
2738: if(strstr(str,"-steps"))
2739: {
2774: FilePrintString(f, "RATES ");
2775: FilePrintInt(f, index + 1);
2776: LineFeed(f);
2777: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2778: FilePrintString(f, str);
2779: }
2780:
2786: FilePrintString(f, "PHASE ");
2787: FilePrintInt(f, index + 1);
2788: LineFeed(f);
2789: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2790: FilePrintString(f, str);
2791: }
2792:
2798: FilePrintString(f, "EXCHANGE ");
2799: FilePrintInt(f, index + 1);
2800: LineFeed(f);
2801: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2802: {
2803: pos = 0;
2804: p = 0;
2835: {
2836: FilePrintString(f, "PRINT ");
2837: LineFeed(f);
2838: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2839: FilePrintString(f, str);
2840: }
2841: else
2839: FilePrintString(f, str);
2840: }
2841: else
2842: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2843: {
2844: }
2845: }
2852: {
2853: FilePrintString(f, "SELECTED_OUTPUT ");
2854: LineFeed(f);
2855: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2856: {
2857: FilePrintString(f, str);
2858: p = 0;
2868: }
2869: }
2870: else
2871: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2872: {
2873: }
2874: }
2951: name[nj + nk +
2952: rcml_number_of_ion_exchanges + 1], 34);
2953: }
2954: while (fgets(str,256,indatei) && (!strstr(str, "#ende")))
2955: {
2956: // FilePrintString(f, str);
2957: }
2959: else
2960: while (fgets(str,256,
2961: indatei) &&
2962: ((!strstr(str, "#ende")) || (!strstr(str, "END"))))
2963: {
2964: }
2965: } /* end if_USER_PUNCH */
3070: {
3071: *out_file << "SOLUTION " << index + 1 << " #New Version " << "\n";
3072: *out_file << "#GRID " << index + 1 << "\n";
3073: while(line_string.find("#ende") == string::npos)
3074: {
3075: pqc_infile.getline(line,MAX_ZEILE);
3076: line_string = line;
3138: else // Write units and temperature in the standard case
3139: if (line_string.find("pH") == string::npos &&
3140: line_string.find("pe") == string::npos &&
3141: line_string.find("#ende") == string::npos)
3142: *out_file << line_string << "\n";
3143: } // end while
3144:
3183: if(line_string.find("EQUILIBRIUM_PHASES") != string::npos)
3184: {
3185: *out_file << "\n" << "EQUILIBRIUM_PHASES " << index + 1 << "\n";
3186: while(line_string.find("#ende") == string::npos)
3187: {
3188: pqc_infile.getline(line,MAX_ZEILE);
3189: line_string = line;
3235: if(line_string.find("EXCHANGE") != string::npos) // keyword found
3236: {
3237: *out_file << "\n" << "EXCHANGE " << index + 1 << "\n";
3238: while(line_string.find("#ende") == string::npos)
3239: {
3240: pqc_infile.getline(line,MAX_ZEILE);
3241: line_string = line;
3315: // calculate Volume of gas phase in [mol * Pa * m^3 / K / mol * K / Pa = m^3 ]
3316: volume = mm * 8.314472 * (273.15 + temp) / press;
3317:
3318: while(line_string.find("#ende") == string::npos)
3319: {
3320: pqc_infile.getline(line,MAX_ZEILE);
3321: line_string = line;
3363: if(index < 1)
3364: {
3365: *out_file << "\n" << "SELECTED_OUTPUT" << "\n";
3366: while(line_string.find("#ende") == string::npos)
3367: {
3368: pqc_infile.getline(line,MAX_ZEILE);
3369: line_string = line;
3382: if(index < 1)
3383: {
3384: *out_file << "\n" << "PRINT" << "\n";
3385: while(line_string.find("#ende") == string::npos)
3386: {
3387: pqc_infile.getline(line,MAX_ZEILE);
3388: line_string = line;
3483: {
3484: pqc_infile.getline(line,MAX_ZEILE);
3485: line_string = line;
3486: if((line_string.find("#ende") != string::npos) ||
3487: (line_string.find("END") != string::npos))
3488: break;
3489: }
3508: if(index < 1)
3509: {
3510: *out_file << "\n" << "KNOBS" << "\n";
3511: while(line_string.find("#ende") == string::npos)
3512: {
3513: pqc_infile.getline(line,MAX_ZEILE);
3514: line_string = line;
3521: if(line_string.find("KINETICS")!=string::npos){
3522: stepsflag = 0;
3523: *out_file << "\n" << "KINETICS " << index+1 << "\n";
3524: while(line_string.find("#ende")==string::npos){
3525: pqc_infile.getline(line,MAX_ZEILE);
3526: line_string = line;
3527: // Check if this is a new kinetic formulation, i.e. kinetics name = speciesname (phase)
3594: // Schleife ueber Keyword RATES
3595: if(line_string.find("RATES")!=string::npos){
3596: *out_file << "\n" << "RATES " << index+1 << "\n";
3597: while(line_string.find("#ende")==string::npos){
3598: pqc_infile.getline(line,MAX_ZEILE);
3599: line_string = line;
3600: *out_file << line_string << "\n";
4746: {
4747: *out_buff << "SOLUTION " << index + 1 << "\n";
4748: nline++;
4749: while(line_string.find("#ende") == string::npos)
4750: {
4751: pqc_infile.getline(line,MAX_ZEILE);
4752: line_string = line;
4789: // Write units and temperature in the standard case
4790: if (line_string.find("pH") == string::npos &&
4791: line_string.find("pe") == string::npos &&
4792: line_string.find("#ende") == string::npos)
4793: {
4794: *out_buff << line_string << "\n";
4795: nline++;
4828: pqc_index[n1 + 2]);
4829: *out_buff << "pe " << dval << "\n";
4830: nline++;
4831: if (line_string.find("#ende") != 0)
4832: {
4833: *out_buff << line_string << "\n";
4834: nline++;
4840: { // keyword found
4841: *out_buff << "PURE " << index + 1 << "\n";
4842: nline++;
4843: while(line_string.find("#ende") == string::npos)
4844: {
4845: pqc_infile.getline(line,MAX_ZEILE);
4846: line_string = line;
4858: nline++;
4859: }
4860: else
4861: if (line_string.find("#ende") != 0)
4862: *out_buff << line_string << "\n";
4863: }
4864: } // end EQUILIBRIUM PHASES
4868: { // keyword found
4869: *out_buff << "EXCHANGE " << index + 1 << "\n";
4870: nline++;
4871: while(line_string.find("#ende") == string::npos)
4872: {
4873: pqc_infile.getline(line,MAX_ZEILE);
4874: line_string = line;
4886: nline++;
4887: }
4888: else
4889: if (line_string.find("#ende") != 0)
4890: {
4891: *out_buff << line_string << "\n";
4892: nline++;
4939: // calculate Volume of gas phase in [mol * Pa * m^3 / K / mol * K / Pa = m^3 ]
4940: volume = mm * 8.314472 * (273.15 + temp) / press;
4941:
4942: while(line_string.find("#ende") == string::npos)
4943: {
4944: pqc_infile.getline(line,MAX_ZEILE);
4945: line_string = line;
4981: nline++;
4982: }
4983: else
4984: if (line_string.find("#ende") != 0)
4985: {
4986: *out_buff << line_string << "\n"; //write line unchanged
4987: nline++;
4995: {
4996: *out_buff << "SELECTED_OUTPUT" << "\n";
4997: nline++;
4998: while(line_string.find("#ende") == string::npos)
4999: {
5000: pqc_infile.getline(line,MAX_ZEILE);
5001: line_string = line;
5006: nline++;
5007: }
5008: else
5009: if (line_string.find("#ende") != 0)
5010: {
5011: *out_buff << line_string << "\n";
5012: nline++;
5021: {
5022: *out_buff << "PRINT" << "\n";
5023: nline++;
5024: while(line_string.find("#ende") == string::npos)
5025: {
5026: pqc_infile.getline(line,MAX_ZEILE);
5027: line_string = line;
5027: line_string = line;
5028: if (line_string.find("#libprint") != string::npos)
5029: libphreeqc_print = "T";
5030: else if (line_string.find("#ende") != 0)
5031: {
5032: *out_buff << line_string << "\n";
5033: nline++;
5101: {
5102: pqc_infile.getline(line,MAX_ZEILE);
5103: line_string = line;
5104: if((line_string.find("#ende") != string::npos) ||
5105: (line_string.find("END") != string::npos))
5106: break;
5107: }
5129: {
5130: *out_buff << "KNOBS" << "\n";
5131: nline++;
5132: while(line_string.find("#ende") == string::npos)
5133: {
5134: pqc_infile.getline(line,MAX_ZEILE);
5135: line_string = line;
Last modified: 2016-01-21 13:49:06.212172
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