[2696] | 1 | |
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| 2 | // ############################################################################ |
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| 3 | // |
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| 4 | // create_mz_kpp_module |
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| 5 | // |
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| 6 | // create vectorcode from .90 sources created by KPP to be used in MESSy |
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| 7 | // |
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| 8 | // COPYRIGHT Klaus Ketelsen and MPI-CH April 2007 |
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| 9 | // |
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| 10 | // ############################################################################ |
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[3298] | 11 | //Current revisions: |
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| 12 | //------------------ |
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| 13 | / |
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| 14 | / |
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| 15 | //Former revisions: |
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| 16 | //----------------- |
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| 17 | //$Id: fortran_file.C 2470 2017-09-14 13:56:42Z forkel $ |
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| 18 | // ketelsen 18.09.2018: Line 112: do k=is,ie bydo k=1,vl; line 156 ff: replaced index k by j |
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| 19 | // |
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| 20 | // forkel Sept.2018: added edit_Initialize |
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| 21 | // changed loop direction for update_rconst in edit_Update_RCONST |
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| 22 | / 2017-09-14 13:56:42Z forkel $ |
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| 23 | // |
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| 24 | // |
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| 25 | // Nov 2016: Intial version of KP4 adapted to PALM (Klaus Ketelsen) |
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| 26 | // |
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[2696] | 27 | |
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[3298] | 28 | |
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[2696] | 29 | #include <fstream> |
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| 30 | #include "fortran_file.h" |
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| 31 | |
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| 32 | #include "utils.h" |
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| 33 | |
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| 34 | |
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| 35 | void fortran_file::edit_inc_vec (vector<string> &gvl) { |
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| 36 | vector<program_line>::iterator ip; |
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| 37 | vector<string>::iterator ig; |
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| 38 | |
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| 39 | cout << "Handling include: " <<name <<endl; |
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| 40 | |
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| 41 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 42 | if(ip->get_token(0) == "REAL") { |
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| 43 | int pos = ip->get_token_number_from_string("::"); |
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| 44 | if(pos > 1) { |
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| 45 | pos ++; |
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| 46 | for (ig=gvl.begin(); ig != gvl.end(); ig++) { |
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| 47 | string var_name = *ig; |
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| 48 | if(ip->get_token(pos) == var_name) { |
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| 49 | ip->update_token(pos+1,"(VL_DIM,"); |
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| 50 | } |
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| 51 | } |
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| 52 | } |
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| 53 | } |
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| 54 | if(ip->get_token(0) == "EQUIVALENCE" && ip->get_token(2) == "C" ) { |
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| 55 | ip->update_token(3,"(1,"); |
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| 56 | ip->update_token(9,"(1,"); |
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| 57 | } |
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| 58 | } |
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| 59 | |
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| 60 | return; |
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| 61 | } |
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| 62 | |
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| 63 | void fortran_file::global_variables2vector (vector<string> &gvl) { |
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| 64 | vector<program_line>::iterator ip; |
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| 65 | vector<string>::iterator ig; |
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| 66 | |
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| 67 | cout << "Handling subroutine: " <<name <<endl; |
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| 68 | |
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| 69 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 70 | for (ig=gvl.begin(); ig != gvl.end(); ig++) { |
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| 71 | string var_name = *ig; |
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| 72 | ip->change_variable_to_vector (var_name); |
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| 73 | } |
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| 74 | } |
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| 75 | |
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| 76 | return; |
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| 77 | } |
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| 78 | |
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| 79 | void fortran_file::edit_Update_RCONST (vector <Vvar> &var_list) { |
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| 80 | vector<program_line>::iterator ip; |
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| 81 | vector<Vvar>::iterator iv; |
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| 82 | string lo_line; |
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| 83 | |
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| 84 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 85 | ip->global_substitute ("*"," *"); |
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| 86 | ip->global_substitute ("* *","**"); |
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| 87 | ip->global_substitute (","," , "); |
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| 88 | ip->global_substitute ("/"," / "); |
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| 89 | ip->global_substitute ("1:VL","j"); |
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| 90 | } |
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| 91 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 92 | for (iv=var_list.begin(); iv != var_list.end(); iv++) { |
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| 93 | ip->change_variable_to_vector_g (*iv); |
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| 94 | } |
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| 95 | } |
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[3298] | 96 | |
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| 97 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 98 | if(kpp_switches.is_vector() ) { |
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| 99 | ip->global_substitute ("phot (","phot(j,"); |
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| 100 | } |
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| 101 | } |
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| 102 | |
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[2696] | 103 | ip = pline.begin()+1 ; |
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| 104 | lo_line = ip->get_line() ; |
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| 105 | lo_line.erase(); |
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[3298] | 106 | if(kpp_switches.is_vector() ) { |
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| 107 | lo_line = " INTEGER :: j,k"; |
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| 108 | } else { |
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| 109 | lo_line = " INTEGER :: k"; |
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| 110 | } |
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[2696] | 111 | ip->set_line(lo_line); |
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| 112 | |
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| 113 | if(kpp_switches.is_vector() ) { |
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| 114 | ip = pline.begin()+2 ; |
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| 115 | lo_line = ip->get_line() ; |
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| 116 | lo_line.erase(); |
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[3298] | 117 | lo_line = " do k=1,vl"; |
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[2696] | 118 | ip->set_line(lo_line); |
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| 119 | |
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| 120 | ip = pline.begin()+3 ; |
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| 121 | lo_line = ip->get_line() ; |
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| 122 | lo_line.erase(); |
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[3298] | 123 | lo_line = " j = k"; |
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[2696] | 124 | ip->set_line(lo_line); |
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| 125 | |
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| 126 | ip = pline.end()-2 ; |
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| 127 | lo_line = ip->get_line() ; |
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| 128 | lo_line.erase(); |
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| 129 | lo_line = " end do"; |
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| 130 | ip->set_line(lo_line); |
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| 131 | } else { |
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| 132 | ip = pline.begin()+3 ; |
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| 133 | lo_line = ip->get_line() ; |
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| 134 | lo_line.erase(); |
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| 135 | lo_line = " k = is"; |
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| 136 | ip->set_line(lo_line); |
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| 137 | } |
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| 138 | |
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| 139 | return; |
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| 140 | } |
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| 141 | |
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[3298] | 142 | void fortran_file::edit_Initialize (vector <Vvar> &var_list) { |
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| 143 | vector<program_line>::iterator ip; |
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| 144 | vector<Vvar>::iterator iv; |
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| 145 | string lo_line; |
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[2696] | 146 | |
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[3298] | 147 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 148 | ip->global_substitute ("*"," *"); |
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| 149 | ip->global_substitute ("* *","**"); |
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| 150 | ip->global_substitute (","," , "); |
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| 151 | ip->global_substitute ("/"," / "); |
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| 152 | ip->global_substitute ("1:VL","j"); |
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| 153 | } |
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| 154 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 155 | for (iv=var_list.begin(); iv != var_list.end(); iv++) { |
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| 156 | ip->change_variable_to_vector_g (*iv); |
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| 157 | } |
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| 158 | } |
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| 159 | |
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| 160 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 161 | if(kpp_switches.is_vector() ) { |
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| 162 | ip->global_substitute ("qvap","qvap(j)"); |
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| 163 | } |
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| 164 | } |
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| 165 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 166 | if(kpp_switches.is_vector() ) { |
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| 167 | ip->global_substitute ("fakt","fakt(j)"); |
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| 168 | } |
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| 169 | } |
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| 170 | |
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| 171 | ip = pline.begin()+3 ; |
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| 172 | lo_line = ip->get_line() ; |
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| 173 | lo_line.erase(); |
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| 174 | lo_line = " INTEGER :: j,k"; |
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| 175 | ip->set_line(lo_line); |
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| 176 | |
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| 177 | if(kpp_switches.is_vector() ) { |
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| 178 | ip = pline.begin()+9 ; |
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| 179 | lo_line = ip->get_line() ; |
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| 180 | lo_line.erase(); |
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| 181 | lo_line = " do k = is,ie"; |
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| 182 | ip->set_line(lo_line); |
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| 183 | |
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| 184 | ip = pline.begin()+10 ; |
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| 185 | lo_line = ip->get_line() ; |
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| 186 | lo_line.erase(); |
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| 187 | lo_line = " j = k - is +1"; |
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| 188 | ip->set_line(lo_line); |
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| 189 | |
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| 190 | ip = pline.end()-2 ; |
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| 191 | lo_line = ip->get_line() ; |
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| 192 | // lo_line.erase(); |
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| 193 | lo_line = " end do"; |
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| 194 | ip->set_line(lo_line); |
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| 195 | } else { |
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| 196 | ip = pline.begin()+7 ; |
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| 197 | lo_line = ip->get_line() ; |
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| 198 | lo_line.erase(); |
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| 199 | lo_line = " k = is"; |
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| 200 | ip->set_line(lo_line); |
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| 201 | } |
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| 202 | |
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| 203 | return; |
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| 204 | } |
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| 205 | |
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| 206 | |
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[2696] | 207 | void fortran_file::edit_KppDecomp () { |
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| 208 | |
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| 209 | vector<program_line>::iterator ip; |
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| 210 | string lo_line; |
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| 211 | |
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| 212 | bool declaration = true; |
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| 213 | |
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| 214 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 215 | |
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| 216 | if(ip->get_token(0) == "IER") { |
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| 217 | declaration = false; |
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| 218 | } |
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| 219 | if ( declaration ) { |
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| 220 | if(ip->get_token(0) == "REAL") { |
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| 221 | lo_line = ip->get_line() ; |
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| 222 | lo_line.erase(); |
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| 223 | if(kpp_switches.de_indexing () == 2) { |
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| 224 | lo_line = " REAL(kind=dp) :: JVS(:,:), a(VL)"; |
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| 225 | } else { |
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| 226 | lo_line = " REAL(kind=dp) :: JVS(:,:), W(VL,NVAR), a(VL)"; |
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| 227 | } |
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| 228 | ip->set_line(lo_line); |
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| 229 | } |
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| 230 | |
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| 231 | } else { |
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| 232 | ip->change_variable_to_vector ("W"); |
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| 233 | ip->change_variable_to_vector ("JVS"); |
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| 234 | |
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| 235 | if(ip->get_token(0) == "IF" || ip->get_token(1) == "IF") { |
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| 236 | lo_line = ip->get_line() ; |
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| 237 | lo_line.insert(0,"! Not in vector Mode "); |
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| 238 | ip->set_line(lo_line); |
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| 239 | } |
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| 240 | if(ip->get_token(0) == "IER" && ip->get_token(2) == "k") { |
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| 241 | lo_line = ip->get_line() ; |
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| 242 | lo_line.insert(0,"! Not in vector Mode "); |
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| 243 | ip->set_line(lo_line); |
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| 244 | } |
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| 245 | if(ip->get_token(0) == "RETURN") { |
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| 246 | lo_line = ip->get_line() ; |
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| 247 | lo_line.insert(0,"! Not in vector Mode "); |
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| 248 | ip->set_line(lo_line); |
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| 249 | } |
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| 250 | } |
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| 251 | } |
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| 252 | |
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| 253 | return; |
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| 254 | } |
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| 255 | |
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| 256 | void fortran_file::edit_KppSolve () { |
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| 257 | |
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| 258 | vector<program_line>::iterator ip; |
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| 259 | |
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| 260 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 261 | if(ip->get_token(0) == "REAL") { |
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| 262 | ip->substitute("NVAR",":,:"); |
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| 263 | ip->substitute("LU_NONZERO",":,:"); |
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| 264 | } else { |
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| 265 | ip->change_variable_to_vector ("JVS"); |
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| 266 | ip->change_variable_to_vector ("X"); |
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| 267 | } |
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| 268 | } |
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| 269 | |
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| 270 | return; |
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| 271 | } |
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| 272 | |
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| 273 | void fortran_file::edit_Jac_SP () { |
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| 274 | |
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| 275 | vector<program_line>::iterator ip; |
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| 276 | string lo_line; |
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| 277 | |
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| 278 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 279 | if(ip->get_token(0) == "REAL") { |
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| 280 | ip->substitute("NVAR",":,:"); |
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| 281 | ip->substitute("NFIX",":,:"); |
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| 282 | ip->substitute("NREACT",":,:"); |
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| 283 | ip->substitute("LU_NONZERO",":,:"); |
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| 284 | if(ip->get_token(5) == "B") { |
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| 285 | lo_line = ip->get_line() ; |
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| 286 | lo_line.erase(); |
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| 287 | lo_line = " REAL(kind=dp) :: B(VL," +ip->get_token(7) +")"; |
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| 288 | ip->set_line(lo_line); |
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| 289 | } |
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| 290 | } else { |
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| 291 | ip->change_variable_to_vector ("V"); |
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| 292 | ip->change_variable_to_vector ("F"); |
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| 293 | ip->change_variable_to_vector ("B"); |
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| 294 | ip->change_variable_to_vector ("RCT"); |
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| 295 | ip->change_variable_to_vector ("JVS"); |
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| 296 | } |
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| 297 | } |
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| 298 | |
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| 299 | return; |
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| 300 | } |
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| 301 | |
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| 302 | void fortran_file::edit_Fun () { |
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| 303 | |
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| 304 | vector<program_line>::iterator ip; |
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| 305 | |
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| 306 | bool declaration = true; |
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| 307 | |
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| 308 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 309 | |
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| 310 | if(ip->get_token(1) == "Computation" || ip->get_token(1) == "Told" ) { |
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| 311 | declaration = false; |
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| 312 | } |
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| 313 | if ( declaration ) { |
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| 314 | if(ip->get_token(0) == "REAL") { |
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| 315 | ip->substitute("NVAR",":,:"); |
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| 316 | ip->substitute("NFIX",":,:"); |
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| 317 | ip->substitute("NREACT",":,:"); |
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| 318 | } |
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| 319 | } else { |
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| 320 | ip->change_variable_to_vector ("V"); |
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| 321 | ip->change_variable_to_vector ("F"); |
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| 322 | ip->change_variable_to_vector ("RCT"); |
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| 323 | ip->change_variable_to_vector ("Vdot"); |
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| 324 | } |
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| 325 | } |
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| 326 | |
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| 327 | return; |
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| 328 | } |
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| 329 | |
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[3298] | 330 | void fortran_file::edit_WAXPY () { |
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| 331 | |
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| 332 | vector<program_line>::iterator ip; |
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| 333 | |
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| 334 | cout << "Handling subroutine: WAXPY" <<endl; |
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| 335 | |
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| 336 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 337 | |
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| 338 | if(ip->get_token(0) == "REAL") { |
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| 339 | ip->substitute("N",":,:"); |
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| 340 | ip->substitute("N",":,:"); |
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| 341 | ip->substitute("Alpha","Alpha(:)"); |
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| 342 | } else { |
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| 343 | ip->change_variable_to_vector ("Y"); |
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| 344 | ip->change_variable_to_vector ("X"); |
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| 345 | if(ip->get_token(0) != "SUBROUTINE") { |
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| 346 | if(ip->get_token(0) == "IF") { |
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| 347 | ip->substitute("Alpha","SUM(alpha(1:VL))"); |
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| 348 | } else { |
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| 349 | ip->substitute("Alpha","alpha(1:VL)"); |
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| 350 | } |
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| 351 | } |
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| 352 | } |
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| 353 | |
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| 354 | |
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| 355 | } |
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| 356 | |
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| 357 | return; |
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| 358 | } |
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| 359 | |
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| 360 | void fortran_file::edit_FunTemplate () { |
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| 361 | |
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| 362 | vector<program_line>::iterator ip; |
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| 363 | |
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| 364 | cout << "Handling subroutine: FunTemplate" <<endl; |
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| 365 | |
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| 366 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 367 | |
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| 368 | if(ip->get_token(0) == "REAL") { |
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| 369 | ip->substitute("NVAR",":,:"); |
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| 370 | ip->substitute("T,","T(:),"); |
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| 371 | ip->substitute("Told","Told(size(T)),Time(size(T))"); |
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| 372 | } |
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| 373 | |
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| 374 | |
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| 375 | } |
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| 376 | |
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| 377 | return; |
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| 378 | } |
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| 379 | |
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| 380 | void fortran_file::edit_JacTemplate () { |
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| 381 | |
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| 382 | vector<program_line>::iterator ip; |
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| 383 | |
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| 384 | cout << "Handling subroutine: JacTemplate" <<endl; |
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| 385 | |
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| 386 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
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| 387 | |
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| 388 | if(ip->get_token(0) == "REAL") { |
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| 389 | ip->substitute("NVAR",":,:"); |
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| 390 | ip->substitute("T,","T(:),"); |
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| 391 | ip->substitute("Told","Told(size(T)),Time(size(T))"); |
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| 392 | ip->substitute("LU_NONZERO",":,:"); |
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| 393 | } |
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| 394 | |
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| 395 | |
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| 396 | } |
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| 397 | |
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| 398 | return; |
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| 399 | } |
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| 400 | |
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