| 1 | // ********************* INCLUDE |
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| 2 | #include <stdio.h> |
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| 3 | |
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| 4 | |
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| 5 | #include "ali_misc.hxx" |
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| 6 | #include "ali_global.hxx" |
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| 7 | #include "ali_sequence.hxx" |
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| 8 | #include "ali_profile.hxx" |
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| 9 | #include "ali_aligner.hxx" |
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| 10 | #include "ali_prealigner.hxx" |
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| 11 | |
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| 12 | |
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| 13 | #define HELIX_PAIRS "helix_pairs" |
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| 14 | #define HELIX_LINE "helix_line" |
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| 15 | #define ALI_CONSENSUS "ALI_CON" |
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| 16 | #define ALI_ERROR "ALI_ERR" |
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| 17 | #define ALI_INTERVALLS "ALI_INT" |
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| 18 | |
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| 19 | ALI_GLOBAL aligs; |
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| 20 | |
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| 21 | |
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| 22 | void message(char *errortext); |
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| 23 | |
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| 24 | |
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| 25 | const char *ali_version = |
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| 26 | "\nALIGNER V2.0 (Boris Reichel 5/95)\n"; |
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| 27 | |
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| 28 | const char *ali_man_line[] = { |
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| 29 | "Parameter:", |
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| 30 | "-s<species> aligne the sequence of <species>", |
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| 31 | "-f<species_1>,...,<species_n>[;<extension_1>,...,<extension_k>] use specified family and family extension", |
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| 32 | "-P<pt_server> use the PT_server <pt_server>", |
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| 33 | "[-D<db_server>] use the DB_server <db_server>", |
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| 34 | "[-nx] not exclusive mode (profile)", |
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| 35 | "[-ms] mark species (profile)", |
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| 36 | "[-mf] mark used family (profile)", |
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| 37 | "[-mfe] mark used family extension (profile)", |
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| 38 | "[-mgf] multi gap factor (0.1) (profile)", |
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| 39 | "[-if] insert factor (2.0) (profile)", |
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| 40 | "[-mif] multi insert factor (0.5) (profile)", |
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| 41 | "[-m] mark all (-m == -ms -mf -mfe) (profile)", |
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| 42 | "[-d<filename>] use <filename> for default values", |
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| 43 | "[-msubX1,X2,...,X25] use X1,...,X25 for the substitute matrix: (profile)", |
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| 44 | " a c g u -", |
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| 45 | " a X1 X2 X3 X4 X5", |
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| 46 | " c X6 X7 X8 X9 X10", |
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| 47 | " g X11 X12 X13 X14 X15", |
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| 48 | " u X16 X17 X18 X19 X20", |
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| 49 | " - X21 X22 X23 X24 X25", |
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| 50 | "[-mbindX1,X2,...,X25] use X1,...,X25 for the binding matrix: (profile)", |
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| 51 | " a c g u -", |
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| 52 | " a X1 X2 X3 X4 X5", |
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| 53 | " c X6 X7 X8 X9 X10", |
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| 54 | " g X11 X12 X13 X14 X15", |
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| 55 | " u X16 X17 X18 X19 X20", |
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| 56 | " - X21 X22 X23 X24 X25", |
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| 57 | "[-maxf] maximal number of family members (10) (profile)", |
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| 58 | "[-minf] minimal number of family members (5) (profile)", |
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| 59 | "[-minw] minimal weight for family members (0.7) (profile)", |
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| 60 | "[-maxew] maximal weight for family extension members (0.2) (profile)", |
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| 61 | "unused [-cl] cost threshold (low) (0.25) ALI_ERR = ','", |
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| 62 | "unused [-cm] cost threshold (middle) (0.5) ALI_ERR = '-'", |
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| 63 | "unused [-ch] cost threshold (high) (0.8) ALI_ERR = '='", |
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| 64 | "[-mm] maximal number of maps for solution (prealigner) (1000)", |
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| 65 | "[-mma] maximal number of maps for aligner (prealigner) (2)", |
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| 66 | "[-csub] cost threshold for substitution (prealigner) (0.5)", |
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| 67 | "[-chel] cost threshold for helix binding (prealigner) (2.0)", |
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| 68 | "[-ec] error count (prealigner) (2)", |
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| 69 | "[-ib] interval border (prealigner) (5)", |
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| 70 | "[-ic] interval center (prealigner) (5)", |
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| 71 | 0 |
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| 72 | }; |
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| 73 | |
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| 74 | |
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| 75 | /* |
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| 76 | * Print a short parameter description |
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| 77 | */ |
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| 78 | void print_man() |
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| 79 | { |
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| 80 | int i; |
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| 81 | |
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| 82 | for (i = 0; ali_man_line[i] != 0; i++) |
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| 83 | fprintf(stderr,"%s\n",ali_man_line[i]); |
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| 84 | } |
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| 85 | |
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| 86 | |
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| 87 | void ali_fatal_error(const char *message, const char *func) { |
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| 88 | fprintf(stderr,"FATAL ERROR %s: %s\n",func,message); |
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| 89 | exit(-1); |
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| 90 | } |
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| 91 | |
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| 92 | void ali_error(const char *message, const char *func) { |
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| 93 | fprintf(stderr,"ERROR %s: %s\n",func,message); |
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| 94 | exit(-1); |
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| 95 | } |
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| 96 | |
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| 97 | |
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| 98 | /******************** |
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| 99 | void del_test(ALI_PROFILE *prof,long begin, long end) |
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| 100 | { |
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| 101 | long i; |
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| 102 | |
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| 103 | printf("**********************\n"); |
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| 104 | for (i = begin; i <= end; i++) { |
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| 105 | printf("W_DEL(%d,%d)\t\t%f\n",i,end,prof->w_del(i,end)); |
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| 106 | } |
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| 107 | } |
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| 108 | |
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| 109 | void perc_test(ALI_PROFILE *prof,long begin, long end) |
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| 110 | { |
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| 111 | long i; |
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| 112 | |
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| 113 | printf("**********************\n"); |
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| 114 | for (i = begin; i <= end; i++) { |
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| 115 | printf("GAP_PERC(%d,%d)\t\t%f\n",i,end,prof->gap_percent(i,end)); |
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| 116 | } |
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| 117 | } |
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| 118 | ********************/ |
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| 119 | |
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| 120 | /* |
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| 121 | * Get one species of a list |
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| 122 | */ |
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| 123 | int get_species(char *species_string, unsigned int species_number, char *buffer) |
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| 124 | { |
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| 125 | while (species_number > 0 && *species_string != '\0') { |
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| 126 | while (*species_string != '\0' && *species_string != ',') |
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| 127 | species_string++; |
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| 128 | if (*species_string != '\0') |
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| 129 | species_string++; |
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| 130 | species_number--; |
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| 131 | } |
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| 132 | |
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| 133 | if (*species_string != '\0') { |
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| 134 | while (*species_string != '\0' && *species_string != ',') |
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| 135 | *buffer++ = *species_string++; |
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| 136 | *buffer = '\0'; |
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| 137 | } |
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| 138 | else { |
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| 139 | return 0; |
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| 140 | } |
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| 141 | |
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| 142 | return 1; |
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| 143 | } |
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| 144 | |
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| 145 | |
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| 146 | int check_base_invariance(char *seq1, char *seq2) |
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| 147 | { |
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| 148 | while (*seq1 != '\0' && !ali_is_base(*seq1)) |
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| 149 | seq1++; |
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| 150 | while (*seq2 != '\0' && !ali_is_base(*seq2)) |
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| 151 | seq2++; |
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| 152 | while (*seq1 != '\0' && *seq2 != '\0') { |
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| 153 | if (*seq1 != *seq2) |
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| 154 | return 0; |
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| 155 | seq1++; |
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| 156 | seq2++; |
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| 157 | while (*seq1 != '\0' && !ali_is_base(*seq1)) |
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| 158 | seq1++; |
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| 159 | while (*seq2 != '\0' && !ali_is_base(*seq2)) |
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| 160 | seq2++; |
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| 161 | } |
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| 162 | |
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| 163 | if (*seq1 == *seq2) |
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| 164 | return 1; |
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| 165 | |
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| 166 | return 0; |
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| 167 | } |
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| 168 | |
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| 169 | |
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| 170 | /* |
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| 171 | * Convert the working sequenz into the original bases |
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| 172 | */ |
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| 173 | int convert_for_back_write(char *seq_new, char *seq_orig) |
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| 174 | { |
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| 175 | |
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| 176 | while (*seq_new != '\0' && (ali_is_dot(*seq_new) || ali_is_gap(*seq_new))) |
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| 177 | seq_new++; |
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| 178 | while (*seq_orig != '\0' && (ali_is_dot(*seq_orig) || ali_is_gap(*seq_orig))) |
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| 179 | seq_orig++; |
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| 180 | |
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| 181 | while (*seq_new != '\0' && *seq_orig != '\0') { |
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| 182 | if (*seq_new != *seq_orig) { |
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| 183 | switch (*seq_new) { |
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| 184 | case 'a': |
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| 185 | switch (*seq_orig) { |
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| 186 | case 'A': |
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| 187 | *seq_new = 'A'; |
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| 188 | break; |
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| 189 | default: |
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| 190 | ali_error("Unexpected character in original sequence"); |
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| 191 | } |
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| 192 | break; |
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| 193 | case 'c': |
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| 194 | switch (*seq_orig) { |
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| 195 | case 'C': |
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| 196 | *seq_new = 'C'; |
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| 197 | break; |
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| 198 | default: |
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| 199 | ali_error("Unexpected character in original sequence"); |
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| 200 | } |
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| 201 | break; |
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| 202 | case 'g': |
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| 203 | switch (*seq_orig) { |
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| 204 | case 'G': |
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| 205 | *seq_new = 'G'; |
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| 206 | break; |
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| 207 | default: |
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| 208 | ali_error("Unexpected character in original sequence"); |
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| 209 | } |
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| 210 | break; |
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| 211 | case 'u': |
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| 212 | switch (*seq_orig) { |
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| 213 | case 'U': |
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| 214 | *seq_new = 'U'; |
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| 215 | break; |
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| 216 | case 't': |
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| 217 | *seq_new = 't'; |
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| 218 | break; |
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| 219 | case 'T': |
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| 220 | *seq_new = 'T'; |
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| 221 | break; |
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| 222 | } |
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| 223 | break; |
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| 224 | case 'n': |
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| 225 | *seq_new = *seq_orig; |
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| 226 | break; |
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| 227 | default: |
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| 228 | ali_fatal_error("Unexpected character in generated sequence"); |
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| 229 | } |
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| 230 | } |
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| 231 | seq_new++; |
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| 232 | seq_orig++; |
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| 233 | while (*seq_new != '\0' && (ali_is_dot(*seq_new) || ali_is_gap(*seq_new))) |
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| 234 | seq_new++; |
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| 235 | while (*seq_orig != '\0' && (ali_is_dot(*seq_orig) || ali_is_gap(*seq_orig))) |
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| 236 | seq_orig++; |
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| 237 | } |
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| 238 | |
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| 239 | if (*seq_new == *seq_orig) |
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| 240 | return 1; |
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| 241 | |
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| 242 | return 0; |
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| 243 | } |
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| 244 | |
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| 245 | |
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| 246 | |
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| 247 | int main(int argc, char **argv) |
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| 248 | { |
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| 249 | int i; |
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| 250 | char message_buffer[100]; |
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| 251 | char species_name[100], species_number; |
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| 252 | ALI_PREALIGNER *align_prealigner; |
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| 253 | ali_prealigner_approx_element *approx_elem; |
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| 254 | ALI_SEQUENCE *sequence; |
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| 255 | |
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| 256 | |
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| 257 | ali_message(ali_version); |
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| 258 | |
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| 259 | aligs.init(&argc, argv); |
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| 260 | |
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| 261 | if (!aligs.species_name || argc > 1) { |
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| 262 | printf("Unknowen : "); |
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| 263 | for (i = 1; i < argc; i++) |
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| 264 | printf("%s ",argv[i]); |
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| 265 | printf("\n\n"); |
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| 266 | print_man(); |
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| 267 | exit (-1); |
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| 268 | } |
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| 269 | |
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| 270 | /* |
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| 271 | * Main loop |
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| 272 | */ |
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| 273 | species_number = 0; |
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| 274 | while (get_species(aligs.species_name,species_number,species_name)) { |
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| 275 | species_number++; |
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| 276 | |
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| 277 | sprintf(message_buffer, |
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| 278 | "\nStarting alignment of sequence: %s",species_name); |
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| 279 | ali_message(message_buffer); |
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| 280 | |
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| 281 | /* |
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| 282 | * Get all information of the sequence |
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| 283 | */ |
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| 284 | aligs.arbdb.begin_transaction(); |
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| 285 | ALI_SEQUENCE *align_sequence; |
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| 286 | align_sequence = aligs.arbdb.get_sequence(species_name, |
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| 287 | aligs.mark_species_flag); |
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| 288 | if (align_sequence == 0) { |
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| 289 | ali_error("Can't read sequence from database"); |
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| 290 | ali_message("Aborting alignment of sequence"); |
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| 291 | }else { |
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| 292 | char *align_string; |
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| 293 | char *align_string_original; |
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| 294 | |
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| 295 | align_string = align_sequence->string(); |
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| 296 | align_string_original = aligs.arbdb.get_sequence_string(species_name, |
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| 297 | aligs.mark_species_flag); |
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| 298 | aligs.arbdb.commit_transaction(); |
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| 299 | |
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| 300 | if (align_sequence == 0) |
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| 301 | ali_warning("Can't read sequence from database"); |
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| 302 | else { |
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| 303 | /* |
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| 304 | * make profile for sequence |
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| 305 | */ |
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| 306 | ALI_PROFILE *align_profile; |
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| 307 | align_profile = new ALI_PROFILE(align_sequence,&aligs.prof_context); |
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| 308 | |
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| 309 | /* |
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| 310 | * write information about the profile to the database |
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| 311 | */ |
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| 312 | aligs.arbdb.begin_transaction(); |
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| 313 | char *String = align_profile->cheapest_sequence(); |
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| 314 | aligs.arbdb.put_SAI("ALI_CON",String); |
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| 315 | freeset(String, align_profile->borders_sequence()); |
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| 316 | // aligs.arbdb.put_SAI("ALI_BOR",string,0); |
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| 317 | free(String); |
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| 318 | aligs.arbdb.commit_transaction(); |
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| 319 | |
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| 320 | /* |
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| 321 | * make prealignment |
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| 322 | */ |
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| 323 | align_prealigner = new ALI_PREALIGNER(&aligs.preali_context, |
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| 324 | align_profile, |
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| 325 | 0, align_profile->sequence_length() - 1 , |
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| 326 | 0, align_profile->length() - 1); |
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| 327 | ALI_SEQUENCE *align_pre_sequence_i, *align_pre_sequence; |
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| 328 | ALI_SUB_SOLUTION *align_pre_solution; |
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| 329 | ALI_TLIST<ali_prealigner_approx_element *> *align_pre_approx; |
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| 330 | align_pre_sequence_i = align_prealigner->sequence(); |
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| 331 | align_pre_sequence = align_prealigner->sequence_without_inserts(); |
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| 332 | align_pre_solution = align_prealigner->solution(); |
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| 333 | align_pre_approx = align_prealigner->approximation(); |
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| 334 | delete align_prealigner; |
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| 335 | |
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| 336 | align_pre_solution->print(); |
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| 337 | |
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| 338 | /* |
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| 339 | * write result of alignment into database |
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| 340 | */ |
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| 341 | aligs.arbdb.begin_transaction(); |
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| 342 | String = align_pre_sequence_i->string(); |
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| 343 | aligs.arbdb.put_SAI("ALI_PRE_I",String); |
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| 344 | freeset(String, align_pre_sequence->string()); |
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| 345 | aligs.arbdb.put_SAI("ALI_PRE",String); |
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| 346 | free(String); |
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| 347 | aligs.arbdb.commit_transaction(); |
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| 348 | |
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| 349 | |
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| 350 | sprintf(message_buffer,"%d solutions generated (taking the first)", |
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| 351 | align_pre_approx->cardinality()); |
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| 352 | ali_message(message_buffer); |
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| 353 | |
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| 354 | if (align_pre_approx->is_empty()) |
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| 355 | ali_fatal_error("List of approximations is empty"); |
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| 356 | |
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| 357 | /* |
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| 358 | * Write result back to the database |
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| 359 | */ |
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| 360 | |
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| 361 | approx_elem = align_pre_approx->first(); |
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| 362 | |
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| 363 | sequence = approx_elem->map->sequence(align_profile->sequence()); |
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| 364 | String = sequence->string(); |
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| 365 | |
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| 366 | if (!check_base_invariance(String,align_string)) |
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| 367 | ali_error("Bases changed in output sequence"); |
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| 368 | |
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| 369 | if (!convert_for_back_write(String,align_string_original)) |
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| 370 | ali_fatal_error("Can't convert correctly"); |
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| 371 | |
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| 372 | aligs.arbdb.begin_transaction(); |
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| 373 | aligs.arbdb.put_sequence_string(species_name,String); |
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| 374 | aligs.arbdb.put_SAI("ALI_INSERTS",approx_elem->ins_marker); |
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| 375 | aligs.arbdb.commit_transaction(); |
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| 376 | delete sequence; |
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| 377 | |
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| 378 | /* |
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| 379 | * Delete all Objects |
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| 380 | */ |
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| 381 | free(align_string); |
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| 382 | free(align_string_original); |
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| 383 | delete align_pre_solution; |
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| 384 | delete align_pre_approx; |
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| 385 | delete align_profile; |
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| 386 | delete align_pre_sequence; |
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| 387 | delete align_pre_sequence_i; |
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| 388 | } |
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| 389 | delete align_sequence; |
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| 390 | } |
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| 391 | } /* main loop */ |
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| 392 | |
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| 393 | ali_message("Aligner terminated\n"); |
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| 394 | return 0; |
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| 395 | } |
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| 396 | |
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| 397 | |
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