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) -2020 996 Valeriu Damian and Adrian Sandu |
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7 | Copyright (C) -2020 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 "code.h" |
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35 | #include <string.h> |
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36 | #include <stdio.h> |
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37 | |
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38 | #define MAX_LINE 120 |
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39 | |
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40 | char *F77_types[] = { "", /* VOID */ |
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41 | "INTEGER", /* INT */ |
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42 | "REAL", /* FLOAT */ |
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43 | "REAL*8", /* DOUBLE */ |
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44 | "CHARACTER*12", /* STRING */ |
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45 | "CHARACTER*100" /* DOUBLESTRING */ |
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46 | }; |
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47 | |
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48 | /*************************************************************************************************/ |
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49 | void F77_WriteElm( NODE * n ) |
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50 | { |
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51 | ELEMENT *elm; |
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52 | char * name; |
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53 | char maxi[20]; |
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54 | char maxj[20]; |
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55 | |
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56 | elm = n->elm; |
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57 | name = varTable[ elm->var ]->name; |
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58 | |
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59 | switch( n->type ) { |
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60 | case CONST: bprintf("%g", elm->val.cnst); |
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61 | break; |
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62 | case ELM: bprintf("%s", name); |
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63 | break; |
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64 | case VELM: if( elm->val.idx.i >= 0 ) sprintf( maxi, "%d", elm->val.idx.i+1 ); |
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65 | else sprintf( maxi, "%s", varTable[ -elm->val.idx.i ]->name ); |
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66 | bprintf("%s(%s)", name, maxi ); |
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67 | break; |
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68 | case MELM: if( elm->val.idx.i >= 0 ) sprintf( maxi, "%d", elm->val.idx.i+1 ); |
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69 | else sprintf( maxi, "%s", varTable[ -elm->val.idx.i ]->name ); |
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70 | if( elm->val.idx.j >= 0 ) sprintf( maxj, "%d", elm->val.idx.j+1 ); |
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71 | else sprintf( maxj, "%s", varTable[ -elm->val.idx.j ]->name ); |
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72 | bprintf("%s(%s,%s)", name, maxi, maxj ); |
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73 | break; |
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74 | case EELM: bprintf("(%s)", elm->val.expr ); |
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75 | break; |
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76 | } |
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77 | } |
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78 | |
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79 | /*************************************************************************************************/ |
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80 | void F77_WriteSymbol( int op ) |
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81 | { |
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82 | switch( op ) { |
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83 | case ADD: bprintf("+"); |
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84 | AllowBreak(); |
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85 | break; |
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86 | case SUB: bprintf("-"); |
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87 | AllowBreak(); |
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88 | break; |
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89 | case MUL: bprintf("*"); |
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90 | AllowBreak(); |
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91 | break; |
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92 | case DIV: bprintf("/"); |
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93 | AllowBreak(); |
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94 | break; |
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95 | case POW: bprintf("power"); |
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96 | break; |
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97 | case O_PAREN: bprintf("("); |
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98 | AllowBreak(); |
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99 | break; |
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100 | case C_PAREN: bprintf(")"); |
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101 | break; |
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102 | case NONE: |
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103 | break; |
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104 | } |
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105 | } |
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106 | |
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107 | /*************************************************************************************************/ |
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108 | void F77_WriteAssign( char *ls, char *rs ) |
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109 | { |
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110 | int start; |
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111 | int linelg; |
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112 | int i,j; |
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113 | char c; |
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114 | int first; |
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115 | int crtident; |
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116 | int number_of_lines = 1, MAX_NO_OF_LINES = 36; |
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117 | int ifound, jfound; |
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118 | |
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119 | /* Operator Mapping: 0xaa = '*' | 0xab = '+' | 0xac = ',' |
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120 | 0xad = '-' | 0xae ='.' | 0xaf = '/' */ |
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121 | /* char op_mult=0xaa, op_plus=0xab, op_minus=0xad, op_dot=0xae, op_div=0xaf; */ |
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122 | char op_mult='*', op_plus='+', op_minus='-', op_dot='.', op_div='/'; |
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123 | |
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124 | crtident = 6 + ident * 2; |
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125 | bprintf("%*s%s = ", crtident, "", ls); |
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126 | start = strlen( ls ) + 2; |
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127 | linelg = 70 - crtident - start - 1; |
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128 | |
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129 | first = 1; |
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130 | while( strlen(rs) > linelg ) { |
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131 | ifound = 0; jfound = 0; |
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132 | if ( number_of_lines >= MAX_NO_OF_LINES ) {/* if a new line needs to be started */ |
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133 | for( j=linelg; j>5; j-- ) /* split row here if +, -, or comma */ |
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134 | if ( ( rs[j] == op_plus )||( rs[j] == op_minus )||( rs[j]==',' ) ) { |
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135 | jfound = 1; i=j; break; |
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136 | } |
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137 | } |
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138 | if ( ( number_of_lines < MAX_NO_OF_LINES )||( !jfound ) ) { |
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139 | for( i=linelg; i>10; i-- ) /* split row here if operator or comma */ |
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140 | if ( ( rs[i] & 0x80 )||( rs[i]==',' ) ) { |
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141 | ifound = 1; break; |
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142 | } |
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143 | if( i <= 10 ) { |
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144 | printf("\n Warning: possible error in continuation lines for %s = ...",ls); |
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145 | i = linelg; |
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146 | } |
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147 | } |
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148 | while ( rs[i-1] & 0x80 ) i--; /* put all operators on the next row */ |
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149 | while ( rs[i] == ',' ) i++; /* put commas on the current row */ |
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150 | |
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151 | /*for( i=linelg; i>10; i-- ) |
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152 | if( ( rs[i] & 0x80 )||( rs[i]==',' ) ) |
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153 | break; |
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154 | if( i < 10 ) { |
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155 | printf("\nPossible error when cutting lines"); |
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156 | i = linelg; |
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157 | } */ |
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158 | |
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159 | c = rs[i]; |
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160 | rs[i] = 0; |
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161 | |
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162 | if ( first ) { /* first line in a split row */ |
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163 | bprintf("%s", rs ); |
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164 | linelg++; |
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165 | first = 0; |
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166 | } else {/* continuation line in a split row - but not last line*/ |
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167 | bprintf("\n &%*s%s", start, "", rs ); |
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168 | if ( jfound ) { |
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169 | bprintf("\n%*s%s = %s", crtident, "", ls, ls); |
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170 | number_of_lines = 1; |
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171 | } |
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172 | } |
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173 | rs[i] = c; |
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174 | rs += i; |
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175 | number_of_lines++; |
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176 | } |
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177 | |
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178 | if ( number_of_lines > MAX_NO_OF_LINES ) |
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179 | printf("\n Warning: many continuation lines (%d) for %s = ...",number_of_lines,ls); |
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180 | |
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181 | if ( first ) bprintf("%s\n", rs ); /* non-split row */ |
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182 | else bprintf("\n &%*s%s\n", start, "", rs ); /* last line in a split row */ |
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183 | |
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184 | FlushBuf(); |
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185 | } |
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186 | |
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187 | |
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188 | /*************************************************************************************************/ |
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189 | void F77_WriteComment( char *fmt, ... ) |
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190 | { |
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191 | Va_list args; |
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192 | char buf[ MAX_LINE ]; |
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193 | |
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194 | Va_start( args, fmt ); |
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195 | vsprintf( buf, fmt, args ); |
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196 | va_end( args ); |
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197 | bprintf( "C %-65s\n", buf ); |
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198 | |
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199 | FlushBuf(); |
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200 | } |
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201 | |
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202 | /*************************************************************************************************/ |
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203 | char * F77_Decl( int v ) |
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204 | { |
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205 | static char buf[120]; |
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206 | VARIABLE *var; |
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207 | char *baseType; |
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208 | char maxi[20]; |
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209 | char maxj[20]; |
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210 | |
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211 | var = varTable[ v ]; |
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212 | baseType = F77_types[ var->baseType ]; |
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213 | |
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214 | *buf = 0; |
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215 | |
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216 | switch( var->type ) { |
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217 | case ELM: sprintf( buf, "%s %s", |
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218 | baseType, var->name ); |
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219 | break; |
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220 | case VELM: |
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221 | if( var->maxi > 0 ) sprintf( maxi, "%d", var->maxi ); |
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222 | if( var->maxi == 0 ) sprintf( maxi, "%d", 1 ); |
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223 | /* else sprintf( maxi, "%s", varTable[ -var->maxi ]->name); */ |
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224 | if ( var->maxi < 0 ) { |
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225 | if (varTable[ -var->maxi ]->value < 0) |
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226 | sprintf( maxi, "%s", varTable[ -var->maxi ]->name ); |
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227 | else |
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228 | sprintf( maxi, "%d", (varTable[-var->maxi]->value)==0? |
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229 | 1:varTable[-var->maxi]->value ); |
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230 | } |
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231 | /* if( (var->maxi == 0) || |
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232 | ((var->maxi < 0) && (varTable[ -var->maxi ]->maxi == 0)) ) |
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233 | strcat( maxi, "+1"); */ |
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234 | sprintf( buf, "%s %s(%s)", |
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235 | baseType, var->name, maxi ); |
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236 | break; |
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237 | case MELM: if( var->maxi > 0 ) sprintf( maxi, "%d", var->maxi ); |
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238 | else { |
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239 | if (varTable[ -var->maxi ]->value < 0) |
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240 | sprintf( maxi, "%s", varTable[ -var->maxi ]->name ); |
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241 | else |
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242 | sprintf( maxi, "%d", (varTable[-var->maxi]->value)==0? |
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243 | 1:varTable[-var->maxi]->value ); |
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244 | } |
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245 | /* if( (var->maxi == 0) || |
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246 | ((var->maxi < 0) && (varTable[ -var->maxi ]->maxi == 0)) ) |
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247 | strcat( maxi, "+1"); */ |
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248 | if( var->maxj > 0 ) sprintf( maxj, "%d", var->maxj ); |
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249 | else { |
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250 | if (varTable[ -var->maxj ]->value < 0) |
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251 | sprintf( maxj, "%s", varTable[ -var->maxj ]->name ); |
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252 | else |
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253 | sprintf( maxj, "%d", (varTable[-var->maxj]->value)==0? |
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254 | 1:varTable[-var->maxj]->value ); |
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255 | } |
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256 | /*if( (var->maxj == 0) || |
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257 | ((var->maxj < 0 ) && (varTable[ -var->maxj ]->maxi == 0)) ) |
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258 | strcat( maxj, "+1");*/ |
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259 | sprintf( buf, "%s %s(%s,%s)", |
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260 | baseType, var->name, maxi, maxj ); |
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261 | break; |
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262 | default: |
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263 | printf( "Can not declare type %d\n", var->type ); |
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264 | break; |
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265 | } |
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266 | return buf; |
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267 | } |
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268 | |
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269 | /*************************************************************************************************/ |
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270 | void F77_Declare( int v ) |
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271 | { |
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272 | if( varTable[ v ]->comment ) { |
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273 | F77_WriteComment( "%s - %s", |
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274 | varTable[ v ]->name, varTable[ v ]->comment ); |
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275 | } |
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276 | bprintf(" %s\n", F77_Decl(v) ); |
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277 | |
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278 | FlushBuf(); |
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279 | } |
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280 | |
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281 | /*************************************************************************************************/ |
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282 | void F77_ExternDeclare( int v ) |
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283 | { |
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284 | F77_Declare( v ); |
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285 | bprintf(" COMMON /%s/ %s\n", CommonName, varTable[ v ]->name ); |
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286 | } |
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287 | |
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288 | /*************************************************************************************************/ |
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289 | void F77_GlobalDeclare( int v ) |
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290 | { |
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291 | } |
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292 | |
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293 | /*************************************************************************************************/ |
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294 | void F77_DeclareConstant( int v, char *val ) |
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295 | { |
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296 | VARIABLE *var; |
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297 | int ival; |
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298 | char dummy_val[100]; /* used just to avoid strange behaviour of |
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299 | sscanf when compiled with gcc */ |
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300 | |
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301 | strcpy(dummy_val,val);val = dummy_val; |
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302 | |
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303 | var = varTable[ v ]; |
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304 | |
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305 | if( sscanf(val, "%d", &ival) == 1 ) |
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306 | if( ival == 0 ) var->maxi = 0; |
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307 | else var->maxi = 1; |
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308 | else |
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309 | var->maxi = -1; |
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310 | |
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311 | if( var->comment ) |
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312 | F77_WriteComment( "%s - %s", var->name, var->comment ); |
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313 | |
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314 | switch( var->type ) { |
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315 | case CONST: bprintf(" %s %s\n", |
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316 | F77_types[ var->baseType ], var->name ); |
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317 | bprintf(" PARAMETER ( %s = %s )\n", |
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318 | var->name, val); |
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319 | break; |
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320 | default: |
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321 | printf( "Invalid constant %d", var->type ); |
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322 | break; |
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323 | } |
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324 | |
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325 | FlushBuf(); |
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326 | } |
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327 | |
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328 | /*************************************************************************************************/ |
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329 | void WriteVecData( VARIABLE * var, int min, int max, int split ) |
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330 | { |
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331 | char buf[80]; |
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332 | char *p; |
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333 | |
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334 | if( split ) |
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335 | sprintf( buf, "%6sDATA( %s(i), i = %d, %d ) /\n%5s*", |
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336 | " ", var->name, min, max, " " ); |
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337 | else |
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338 | sprintf( buf, "%6sDATA %s /\n%5s*", |
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339 | " ", var->name, " " ); |
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340 | |
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341 | FlushThisBuf( buf ); |
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342 | bprintf( " / \n\n" ); |
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343 | FlushBuf(); |
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344 | } |
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345 | |
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346 | /*************************************************************************************************/ |
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347 | void F77_DeclareData( int v, int * values, int n ) |
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348 | { |
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349 | int i, j; |
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350 | int nlines, min, max; |
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351 | int split; |
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352 | VARIABLE *var; |
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353 | int * ival; |
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354 | double * dval; |
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355 | char **cval; |
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356 | int maxCols = MAX_COLS; |
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357 | char dsbuf[55]; |
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358 | |
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359 | var = varTable[ v ]; |
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360 | ival = (int*) values; |
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361 | dval = (double*) values; |
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362 | cval = (char**) values; |
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363 | |
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364 | nlines = 1; |
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365 | min = max = 1; |
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366 | split = 0; |
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367 | |
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368 | switch( var->type ) { |
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369 | case VELM: if( n <= 0 ) break; |
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370 | for( i = 0; i < n; i++ ) { |
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371 | switch( var->baseType ) { |
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372 | case INT: bprintf( "%3d", ival[i] ); maxCols=12; break; |
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373 | case DOUBLE: |
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374 | case REAL:bprintf( "%5lg", dval[i] ); maxCols=8; break; |
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375 | case STRING:bprintf( "'%s'", cval[i] ); maxCols=5; break; |
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376 | case DOUBLESTRING: |
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377 | strncpy( dsbuf, cval[i], 54 ); dsbuf[54]='\0'; |
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378 | bprintf( "'%48s'", dsbuf ); maxCols=1; break; |
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379 | } |
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380 | if( ( (i+1) % 12 == 0 ) && ( nlines > MAX_LINES ) ) { |
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381 | split = 1; nlines = 1; |
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382 | WriteVecData( var, min, max, split ); |
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383 | min = max + 1; |
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384 | } |
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385 | else { |
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386 | if( i < n-1 ) bprintf( "," ); |
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387 | if( (i+1) % maxCols == 0 ) { |
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388 | bprintf( "\n%5s*", " " ); |
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389 | nlines++; |
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390 | } |
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391 | } |
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392 | max ++; |
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393 | } |
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394 | WriteVecData( var, min, max-1, split ); |
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395 | break; |
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396 | |
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397 | case ELM: bprintf( "%6sDATA %s / ", " ", var->name ); |
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398 | switch( var->baseType ) { |
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399 | case INT: bprintf( "%d", *ival ); break; |
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400 | case DOUBLE: |
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401 | case REAL:bprintf( "%lg", *dval ); break; |
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402 | case STRING:bprintf( "'%s'", *cval ); break; |
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403 | case DOUBLESTRING: |
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404 | strncpy( dsbuf, *cval, 54 ); dsbuf[54]='\0'; |
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405 | bprintf( "'%s'", dsbuf ); maxCols=1; break; |
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406 | /* bprintf( "'%50s'", *cval ); break; */ |
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407 | } |
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408 | bprintf( " / \n" ); |
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409 | FlushBuf(); |
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410 | break; |
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411 | default: |
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412 | printf( "\n Function not defined !\n" ); |
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413 | break; |
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414 | } |
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415 | } |
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416 | |
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417 | /*************************************************************************************************/ |
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418 | void F77_InitDeclare( int v, int n, void * values ) |
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419 | { |
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420 | int i; |
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421 | VARIABLE * var; |
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422 | |
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423 | var = varTable[ v ]; |
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424 | var->maxi = max( n, 1 ); |
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425 | |
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426 | NewLines(1); |
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427 | F77_DeclareData( v, values, n ); |
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428 | } |
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429 | |
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430 | /*************************************************************************************************/ |
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431 | void F77_FunctionStart( int f, int *vars ) |
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432 | { |
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433 | int i; |
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434 | int v; |
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435 | char * name; |
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436 | int narg; |
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437 | |
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438 | name = varTable[ f ]->name; |
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439 | narg = varTable[ f ]->maxi; |
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440 | |
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441 | bprintf(" SUBROUTINE %s ( ", name ); |
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442 | for( i = 0; i < narg-1; i++ ) { |
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443 | v = vars[ i ]; |
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444 | bprintf("%s, ", varTable[ v ]->name ); |
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445 | } |
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446 | if( narg >= 1 ) { |
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447 | v = vars[ narg-1 ]; |
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448 | bprintf("%s ", varTable[ v ]->name ); |
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449 | } |
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450 | bprintf(")\n"); |
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451 | |
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452 | FlushBuf(); |
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453 | } |
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454 | |
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455 | /*************************************************************************************************/ |
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456 | void F77_FunctionPrototipe( int f, ... ) |
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457 | { |
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458 | char * name; |
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459 | int narg; |
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460 | |
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461 | name = varTable[ f ]->name; |
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462 | narg = varTable[ f ]->maxi; |
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463 | |
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464 | bprintf(" EXTERNAL %s\n", name ); |
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465 | |
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466 | FlushBuf(); |
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467 | } |
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468 | |
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469 | /*************************************************************************************************/ |
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470 | void F77_FunctionBegin( int f, ... ) |
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471 | { |
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472 | Va_list args; |
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473 | int i; |
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474 | int v; |
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475 | int vars[20]; |
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476 | char * name; |
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477 | int narg; |
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478 | FILE *oldf; |
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479 | |
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480 | name = varTable[ f ]->name; |
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481 | narg = varTable[ f ]->maxi; |
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482 | |
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483 | Va_start( args, f ); |
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484 | for( i = 0; i < narg; i++ ) |
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485 | vars[ i ] = va_arg( args, int ); |
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486 | va_end( args ); |
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487 | |
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488 | CommentFncBegin( f, vars ); |
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489 | F77_FunctionStart( f, vars ); |
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490 | NewLines(1); |
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491 | bprintf(" IMPLICIT NONE\n" ); |
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492 | bprintf(" INCLUDE '%s_Parameters.h'\n\n", rootFileName ); |
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493 | |
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494 | FlushBuf(); |
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495 | |
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496 | for( i = 0; i < narg; i++ ) |
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497 | F77_Declare( vars[ i ] ); |
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498 | |
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499 | bprintf("\n"); |
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500 | FlushBuf(); |
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501 | |
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502 | MapFunctionComment( f, vars ); |
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503 | } |
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504 | |
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505 | /*************************************************************************************************/ |
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506 | void F77_FunctionEnd( int f ) |
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507 | { |
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508 | bprintf(" RETURN\n"); |
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509 | bprintf(" END\n\n"); |
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510 | |
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511 | FlushBuf(); |
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512 | |
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513 | CommentFunctionEnd( f ); |
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514 | } |
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515 | |
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516 | /*************************************************************************************************/ |
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517 | void F77_Inline( char *fmt, ... ) |
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518 | { |
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519 | Va_list args; |
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520 | char buf[ 1000 ]; |
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521 | |
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522 | if( useLang != F77_LANG ) return; |
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523 | |
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524 | Va_start( args, fmt ); |
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525 | vsprintf( buf, fmt, args ); |
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526 | va_end( args ); |
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527 | bprintf( "%s\n", buf ); |
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528 | |
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529 | FlushBuf(); |
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530 | } |
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531 | |
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532 | /*************************************************************************************************/ |
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533 | void Use_F() |
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534 | { |
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535 | WriteElm = F77_WriteElm; |
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536 | WriteSymbol = F77_WriteSymbol; |
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537 | WriteAssign = F77_WriteAssign; |
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538 | WriteComment = F77_WriteComment; |
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539 | DeclareConstant = F77_DeclareConstant; |
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540 | Declare = F77_Declare; |
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541 | ExternDeclare = F77_ExternDeclare; |
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542 | GlobalDeclare = F77_GlobalDeclare; |
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543 | InitDeclare = F77_InitDeclare; |
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544 | |
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545 | FunctionStart = F77_FunctionStart; |
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546 | FunctionPrototipe = F77_FunctionPrototipe; |
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547 | FunctionBegin = F77_FunctionBegin; |
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548 | FunctionEnd = F77_FunctionEnd; |
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549 | |
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550 | OpenFile( ¶m_headerFile, rootFileName, "_Parameters.h", "Parameter Header File" ); |
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551 | OpenFile( &initFile, rootFileName, "_Initialize.f", "Initialization File" ); |
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552 | OpenFile( &driverFile, rootFileName, "_Main.f", "Main Program File" ); |
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553 | OpenFile( &integratorFile, rootFileName, "_Integrator.f", |
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554 | "Numerical Integrator (Time-Stepping) File" ); |
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555 | OpenFile( &linalgFile, rootFileName, "_LinearAlgebra.f", |
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556 | "Linear Algebra Data and Routines File" ); |
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557 | OpenFile( &functionFile, rootFileName, "_Function.f", |
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558 | "The ODE Function of Chemical Model File" ); |
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559 | OpenFile( &jacobianFile, rootFileName, "_Jacobian.f", |
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560 | "The ODE Jacobian of Chemical Model File" ); |
---|
561 | OpenFile( &rateFile, rootFileName, "_Rates.f", |
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562 | "The Reaction Rates File" ); |
---|
563 | if ( useStochastic ) |
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564 | OpenFile( &stochasticFile, rootFileName, "_Stochastic.f", |
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565 | "The Stochastic Chemical Model File" ); |
---|
566 | if ( useStoicmat ) { |
---|
567 | OpenFile( &stoichiomFile, rootFileName, "_Stoichiom.f", |
---|
568 | "The Stoichiometric Chemical Model File" ); |
---|
569 | OpenFile( &sparse_stoicmFile, rootFileName, "_StoichiomSP.f", |
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570 | "Sparse Stoichiometric Data Structures File" ); |
---|
571 | } |
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572 | OpenFile( &utilFile, rootFileName, "_Util.f", |
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573 | "Auxiliary Routines File" ); |
---|
574 | OpenFile( &sparse_dataFile, rootFileName, "_Sparse.h", "Sparse Data Header File" ); |
---|
575 | OpenFile( &global_dataFile, rootFileName, "_Global.h", "Global Data Header File" ); |
---|
576 | if ( useJacSparse ) { |
---|
577 | OpenFile( &sparse_jacFile, rootFileName, "_JacobianSP.f", |
---|
578 | "Sparse Jacobian Data Structures File" ); |
---|
579 | } |
---|
580 | if ( useHessian ) { |
---|
581 | OpenFile( &hessianFile, rootFileName, "_Hessian.f", "Hessian File" ); |
---|
582 | OpenFile( &sparse_hessFile, rootFileName, "_HessianSP.f", |
---|
583 | "Sparse Hessian Data Structures File" ); |
---|
584 | } |
---|
585 | OpenFile( &mapFile, rootFileName, ".map", |
---|
586 | "Map File with Human-Readable Information" ); |
---|
587 | OpenFile( &monitorFile, rootFileName, "_Monitor.f", |
---|
588 | "Initialization of Utility Data Structures" ); |
---|
589 | } |
---|