[2696] | 1 | /****************************************************************************** |
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| 2 | |
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| 3 | KPP - The Kinetic PreProcessor |
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| 4 | Builds simulation code for chemical kinetic systems |
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| 5 | |
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[4481] | 6 | Copyright (C) -2020 996 Valeriu Damian and Adrian Sandu |
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| 7 | Copyright (C) -2020 005 Adrian Sandu |
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[2696] | 8 | |
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| 9 | KPP is free software; you can redistribute it and/or modify it under the |
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| 10 | terms of the GNU General Public License as published by the Free Software |
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| 11 | Foundation (http://www.gnu.org/copyleft/gpl.html); either version 2 of the |
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| 12 | License, or (at your option) any later version. |
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| 13 | |
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| 14 | KPP is distributed in the hope that it will be useful, but WITHOUT ANY |
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| 15 | WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS |
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| 16 | FOR A PARTICULAR PURPOSE. See the GNU General Public License for more |
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| 17 | details. |
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| 18 | |
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| 19 | You should have received a copy of the GNU General Public License along |
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| 20 | with this program; if not, consult http://www.gnu.org/copyleft/gpl.html or |
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| 21 | write to the Free Software Foundation, Inc., 59 Temple Place - Suite 330, |
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| 22 | Boston, MA 02111-1307, USA. |
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| 23 | |
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| 24 | Adrian Sandu |
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| 25 | Computer Science Department |
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| 26 | Virginia Polytechnic Institute and State University |
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| 27 | Blacksburg, VA 24060 |
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| 28 | E-mail: sandu@cs.vt.edu |
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| 29 | |
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| 30 | ******************************************************************************/ |
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| 31 | |
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| 32 | |
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| 33 | #include "gdata.h" |
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| 34 | #include "scan.h" |
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| 35 | |
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| 36 | void WriteAtoms() |
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| 37 | { |
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| 38 | int i; |
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| 39 | |
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| 40 | printf("\nATM -----------------------------------------------" ); |
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| 41 | |
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| 42 | for( i = 0; i < SpeciesNr; i++ ) { |
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| 43 | switch( AtomTable[i].check ) { |
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| 44 | case NO_CHECK: |
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| 45 | printf( "\n(%3d) %6s, NO -- ------ ", i, AtomTable[i].name ); |
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| 46 | break; |
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| 47 | case DO_CHECK: |
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| 48 | printf( "\n(%3d) %6s, -- DO ------", i, AtomTable[i].name ); |
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| 49 | break; |
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| 50 | case CANCEL_CHECK: |
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| 51 | printf( "\n(%3d) %6s, -- -- CANCEL", i, AtomTable[i].name ); |
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| 52 | break; |
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| 53 | default: |
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| 54 | printf( "\n(%3d) %6s, -- -- ------ UNKNOWN [%d]", i, |
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| 55 | AtomTable[i].name, AtomTable[i].check ); |
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| 56 | break; |
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| 57 | } |
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| 58 | } |
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| 59 | } |
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| 60 | |
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| 61 | void WriteSpecies() |
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| 62 | { |
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| 63 | int i; |
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| 64 | int j; |
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| 65 | char *type; |
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| 66 | char *lookat; |
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| 67 | |
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| 68 | printf("\nSPC -----------------------------------------------" ); |
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| 69 | |
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| 70 | for( i = 0; i < SpeciesNr; i++ ) { |
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| 71 | |
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| 72 | switch( SpeciesTable[i].type ) { |
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| 73 | case VAR_SPC: type = "V - -"; break; |
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| 74 | case RAD_SPC: type = "- R -"; break; |
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| 75 | case FIX_SPC: type = "- - F"; break; |
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| 76 | default: type = "? ? ?"; break; |
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| 77 | } |
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| 78 | |
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| 79 | switch( SpeciesTable[i].lookat ) { |
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| 80 | case 0: lookat = "----"; break; |
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| 81 | case 1: lookat = "LOOK"; break; |
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| 82 | default: lookat = "????"; break; |
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| 83 | } |
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| 84 | |
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| 85 | printf( "\n(%3d) %-10s, type %s,%s {", |
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| 86 | i, SpeciesTable[i].name, type, lookat ); |
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| 87 | for( j = 0; j < SpeciesTable[i].nratoms; j++ ) |
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| 88 | printf( " %d%s", SpeciesTable[i].atoms[j].nr, |
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| 89 | AtomTable[ SpeciesTable[i].atoms[j].code ].name ); |
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| 90 | printf("}"); |
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| 91 | } |
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| 92 | } |
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| 93 | |
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| 94 | void WriteMatrices() |
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| 95 | { |
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| 96 | int i, j; |
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| 97 | |
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| 98 | printf("\nMAT ------------------ cc -------------------------" ); |
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| 99 | for( i = 0; i < SpcNr; i++ ) { |
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| 100 | printf("\n %-6s (%d)[%d] ", SpeciesTable[ Code[i] ].name, |
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| 101 | SpeciesTable[ Code[i] ].type, Code[i] ); |
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| 102 | for( j = 0; j < EqnNr; j++ ) { |
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| 103 | printf( "%5.1f ", Stoich_Left[i][j] ); |
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| 104 | } |
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| 105 | } |
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| 106 | |
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| 107 | printf("\nMAT ------------------ cd -------------------------" ); |
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| 108 | for( i = 0; i < SpcNr; i++ ) { |
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| 109 | printf("\n %-6s (%d)[%d] ", SpeciesTable[ Code[i] ].name, |
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| 110 | SpeciesTable[ Code[i] ].type, Code[i] ); |
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| 111 | for( j = 0; j < EqnNr; j++ ) { |
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| 112 | printf( "%5.1f ", Stoich_Right[i][j] ); |
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| 113 | } |
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| 114 | } |
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| 115 | |
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| 116 | printf("\nMAT ------------------ cf -------------------------" ); |
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| 117 | for( i = 0; i < SpcNr; i++ ) { |
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| 118 | printf("\n %-6s (%d)[%d] <r%d> ", SpeciesTable[ Code[i] ].name, |
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| 119 | SpeciesTable[ Code[i] ].type, Code[i], Reactive[i] ); |
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| 120 | for( j = 0; j < EqnNr; j++ ) { |
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| 121 | printf( "%5.1f ", Stoich[i][j] ); |
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| 122 | } |
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| 123 | } |
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| 124 | } |
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| 125 | |
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| 126 | void WriteOptions() |
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| 127 | { |
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| 128 | printf("\n### Options -------------------------------------------\n"); |
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| 129 | if( useAggregate ) printf("FUNCTION - AGGREGATE\n"); |
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| 130 | else printf("FUNCTION - SPLIT\n"); |
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| 131 | switch ( useJacobian ) { |
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| 132 | case JAC_OFF: printf("JACOBIAN - OFF\n"); break; |
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| 133 | case JAC_FULL: printf("JACOBIAN - FULL\n"); break; |
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| 134 | case JAC_LU_ROW: printf("JACOBIAN - SPARSE W/ ACCOUNT FOR LU DECOMPOSITION FILL-IN\n"); break; |
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| 135 | case JAC_ROW: printf("JACOBIAN - SPARSE\n"); break; |
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| 136 | } |
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| 137 | if( useDouble ) printf("DOUBLE - ON\n"); |
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| 138 | else printf("DOUBLE - OFF\n"); |
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| 139 | if( useReorder ) printf("REORDER - ON\n"); |
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| 140 | else printf("REORDER - OFF\n"); |
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| 141 | if( useMex ) printf("MEX - ON\n"); |
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| 142 | else printf("MEX - OFF\n"); |
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| 143 | if( useDummyindex) printf("DUMMYINDEX - ON\n"); |
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| 144 | else printf("DUMMYINDEX - OFF\n"); |
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| 145 | if( useEqntags) printf("EQNTAGS - ON\n"); |
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| 146 | else printf("EQNTAGS - OFF\n"); |
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| 147 | } |
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| 148 | |
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