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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6 | Copyright (C) -2021 996 Valeriu Damian and Adrian Sandu |
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7 | Copyright (C) -2021 005 Adrian Sandu |
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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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