1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622
|
/*
* kalign_api_test.c — comprehensive tests for the kalign public C API.
*
* Covers the functions not exercised by the existing test suite:
* - kalign_run_seeded() (VSM, consistency, tree seed/noise)
* - kalign_run_dist_scale() (VSM, seq_weights)
* - kalign_run_realign() (realign iterations)
* - kalign_post_realign() (post-align realign)
* - kalign_run() with refine modes
* - kalign_msa_compare_detailed()
* - kalign_msa_compare_with_mask()
* - kalign_check_msa()
* - reformat_settings_msa()
* - kalign_write_msa() round-trip fasta
*
* Each test:
* 1. Reads input from the file passed as argv[1]
* 2. Calls the API function
* 3. Asserts structural correctness (alnlen>0, all seqs same length,
* non-gap chars preserved, scores in range)
* 4. Returns 0 on success, -1 on failure
*
* Exit code: EXIT_SUCCESS if all pass, EXIT_FAILURE otherwise.
*/
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <math.h>
#include "kalign/kalign.h"
#include "msa_struct.h"
#include "msa_cmp.h"
/* ------------------------------------------------------------------ */
/* helpers */
/* ------------------------------------------------------------------ */
/* Count non-gap characters in an aligned sequence string. */
static int count_residues(const char *seq)
{
int n = 0;
for (int i = 0; seq[i]; i++) {
if (seq[i] != '-') n++;
}
return n;
}
/* Record the ungapped lengths of all sequences before alignment. */
static int *snapshot_lengths(struct msa *m)
{
int *lens = malloc(sizeof(int) * m->numseq);
if (!lens) return NULL;
for (int i = 0; i < m->numseq; i++) {
lens[i] = m->sequences[i]->len;
}
return lens;
}
/* Verify basic alignment invariants:
* - alnlen > 0
* - every seq string has length == alnlen
* - every seq preserves its original residue count
* Returns 0 on success, -1 on failure. */
static int verify_alignment(struct msa *m, int *orig_lens, const char *label)
{
if (m->alnlen <= 0) {
fprintf(stderr, " [%s] FAIL: alnlen=%d\n", label, m->alnlen);
return -1;
}
for (int i = 0; i < m->numseq; i++) {
if (m->sequences[i]->seq == NULL) {
fprintf(stderr, " [%s] FAIL: seq %d is NULL\n", label, i);
return -1;
}
int slen = (int)strlen(m->sequences[i]->seq);
if (slen != m->alnlen) {
fprintf(stderr, " [%s] FAIL: seq %d strlen=%d != alnlen=%d\n",
label, i, slen, m->alnlen);
return -1;
}
if (orig_lens) {
int res = count_residues(m->sequences[i]->seq);
if (res != orig_lens[i]) {
fprintf(stderr, " [%s] FAIL: seq %d residues=%d != orig=%d\n",
label, i, res, orig_lens[i]);
return -1;
}
}
}
return 0;
}
/* Read input, returning a fresh MSA. Caller must free with kalign_free_msa. */
static struct msa *read_input(const char *path)
{
struct msa *m = NULL;
if (kalign_read_input((char *)path, &m, 1) != 0 || m == NULL) {
fprintf(stderr, " ERROR: cannot read %s\n", path);
return NULL;
}
return m;
}
/* ------------------------------------------------------------------ */
/* individual test functions */
/* ------------------------------------------------------------------ */
static int test_run_with_refine(const char *input)
{
/* Test KALIGN_REFINE_ALL and KALIGN_REFINE_CONFIDENT */
int modes[] = {KALIGN_REFINE_ALL, KALIGN_REFINE_CONFIDENT};
const char *names[] = {"REFINE_ALL", "REFINE_CONFIDENT"};
for (int m = 0; m < 2; m++) {
struct msa *msa = read_input(input);
if (!msa) return -1;
int *lens = snapshot_lengths(msa);
int rv = kalign_run(msa, 1, -1, -1, -1, -1, modes[m], 0);
if (rv != 0) {
fprintf(stderr, " kalign_run(%s) returned %d\n", names[m], rv);
free(lens);
kalign_free_msa(msa);
return -1;
}
if (verify_alignment(msa, lens, names[m]) != 0) {
free(lens);
kalign_free_msa(msa);
return -1;
}
fprintf(stdout, " %s: OK (alnlen=%d)\n", names[m], msa->alnlen);
free(lens);
kalign_free_msa(msa);
}
return 0;
}
static int test_run_dist_scale(const char *input)
{
struct msa *msa = read_input(input);
if (!msa) return -1;
int *lens = snapshot_lengths(msa);
/* vsm_amax=2.0, seq_weights=1.0 */
int rv = kalign_run_dist_scale(msa, 1, -1, -1, -1, -1, 0, 0,
0.0f, 2.0f, 1.0f);
if (rv != 0) {
fprintf(stderr, " kalign_run_dist_scale returned %d\n", rv);
free(lens);
kalign_free_msa(msa);
return -1;
}
if (verify_alignment(msa, lens, "dist_scale") != 0) {
free(lens);
kalign_free_msa(msa);
return -1;
}
fprintf(stdout, " vsm_amax=2.0, seq_weights=1.0: OK (alnlen=%d)\n", msa->alnlen);
free(lens);
kalign_free_msa(msa);
return 0;
}
static int test_run_seeded(const char *input)
{
struct msa *msa = read_input(input);
if (!msa) return -1;
int *lens = snapshot_lengths(msa);
/* tree_seed=42, tree_noise=0, vsm_amax=2.0, consistency_anchors=5 */
int rv = kalign_run_seeded(msa, 1, -1, -1, -1, -1, 0, 0,
42, 0.0f, 0.0f, 2.0f, 0.0f, 5, 2.0f);
if (rv != 0) {
fprintf(stderr, " kalign_run_seeded returned %d\n", rv);
free(lens);
kalign_free_msa(msa);
return -1;
}
if (verify_alignment(msa, lens, "seeded") != 0) {
free(lens);
kalign_free_msa(msa);
return -1;
}
fprintf(stdout, " seeded + consistency: OK (alnlen=%d)\n", msa->alnlen);
free(lens);
kalign_free_msa(msa);
return 0;
}
static int test_run_realign(const char *input)
{
struct msa *msa = read_input(input);
if (!msa) return -1;
int *lens = snapshot_lengths(msa);
/* realign_iterations=1, vsm_amax=2.0 */
int rv = kalign_run_realign(msa, 1, -1, -1, -1, -1, 0, 0,
0.0f, 2.0f, 1, 0.0f, 0, 2.0f);
if (rv != 0) {
fprintf(stderr, " kalign_run_realign returned %d\n", rv);
free(lens);
kalign_free_msa(msa);
return -1;
}
if (verify_alignment(msa, lens, "realign") != 0) {
free(lens);
kalign_free_msa(msa);
return -1;
}
fprintf(stdout, " realign=1, vsm=2.0: OK (alnlen=%d)\n", msa->alnlen);
free(lens);
kalign_free_msa(msa);
return 0;
}
static int test_post_realign(const char *input)
{
/* First do a normal alignment, then post-realign the result */
struct msa *msa = read_input(input);
if (!msa) return -1;
int *lens = snapshot_lengths(msa);
int rv = kalign_run(msa, 1, -1, -1, -1, -1, 0, 0);
if (rv != 0) {
fprintf(stderr, " initial kalign_run returned %d\n", rv);
free(lens);
kalign_free_msa(msa);
return -1;
}
rv = kalign_post_realign(msa, 1, -1, -1, -1, -1, 0, 0,
0.0f, 0.0f, 1, 0.0f);
if (rv != 0) {
fprintf(stderr, " kalign_post_realign returned %d\n", rv);
free(lens);
kalign_free_msa(msa);
return -1;
}
if (verify_alignment(msa, lens, "post_realign") != 0) {
free(lens);
kalign_free_msa(msa);
return -1;
}
fprintf(stdout, " post_realign: OK (alnlen=%d)\n", msa->alnlen);
free(lens);
kalign_free_msa(msa);
return 0;
}
static int test_ensemble_with_realign(const char *input)
{
struct msa *msa = read_input(input);
if (!msa) return -1;
int *lens = snapshot_lengths(msa);
/* ensemble=3, vsm=2.0, realign=1, refine=CONFIDENT */
int rv = kalign_ensemble(msa, 1, -1, 3, -1.0f, -1.0f, -1.0f,
42, 0, NULL,
KALIGN_REFINE_CONFIDENT, 0.0f, 2.0f,
1, 0.0f, 0, 2.0f);
if (rv != 0) {
fprintf(stderr, " kalign_ensemble+realign returned %d\n", rv);
free(lens);
kalign_free_msa(msa);
return -1;
}
if (verify_alignment(msa, lens, "ens+realign") != 0) {
free(lens);
kalign_free_msa(msa);
return -1;
}
/* Also check col_confidence */
if (msa->col_confidence == NULL) {
fprintf(stderr, " [ens+realign] FAIL: col_confidence is NULL\n");
free(lens);
kalign_free_msa(msa);
return -1;
}
for (int i = 0; i < msa->alnlen; i++) {
if (msa->col_confidence[i] < 0.0f || msa->col_confidence[i] > 1.0f) {
fprintf(stderr, " [ens+realign] FAIL: col_confidence[%d]=%.3f\n",
i, msa->col_confidence[i]);
free(lens);
kalign_free_msa(msa);
return -1;
}
}
fprintf(stdout, " ensemble+realign+refine: OK (alnlen=%d)\n", msa->alnlen);
free(lens);
kalign_free_msa(msa);
return 0;
}
static int test_compare_detailed(const char *input)
{
/* Align, then compare to self — should get perfect scores */
struct msa *ref = read_input(input);
struct msa *test_msa = read_input(input);
if (!ref || !test_msa) return -1;
kalign_run(ref, 1, -1, -1, -1, -1, 0, 0);
kalign_run(test_msa, 1, -1, -1, -1, -1, 0, 0);
struct poar_score out;
memset(&out, 0, sizeof(out));
int rv = kalign_msa_compare_detailed(ref, test_msa, -1.0f, &out);
if (rv != 0) {
fprintf(stderr, " kalign_msa_compare_detailed returned %d\n", rv);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
/* Self-comparison: recall, precision, f1 should all be 1.0 */
if (fabs(out.recall - 1.0) > 0.001) {
fprintf(stderr, " FAIL: recall=%.4f (expected 1.0)\n", out.recall);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
if (fabs(out.precision - 1.0) > 0.001) {
fprintf(stderr, " FAIL: precision=%.4f (expected 1.0)\n", out.precision);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
if (fabs(out.f1 - 1.0) > 0.001) {
fprintf(stderr, " FAIL: f1=%.4f (expected 1.0)\n", out.f1);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
if (fabs(out.tc - 1.0) > 0.001) {
fprintf(stderr, " FAIL: tc=%.4f (expected 1.0)\n", out.tc);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
if (out.ref_pairs <= 0 || out.test_pairs <= 0 || out.common <= 0) {
fprintf(stderr, " FAIL: pair counts ref=%lld test=%lld common=%lld\n",
(long long)out.ref_pairs, (long long)out.test_pairs, (long long)out.common);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
if (out.ref_pairs != out.common || out.test_pairs != out.common) {
fprintf(stderr, " FAIL: self-compare pairs mismatch ref=%lld test=%lld common=%lld\n",
(long long)out.ref_pairs, (long long)out.test_pairs, (long long)out.common);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
fprintf(stdout, " compare_detailed self: recall=%.3f prec=%.3f f1=%.3f tc=%.3f pairs=%lld OK\n",
out.recall, out.precision, out.f1, out.tc, (long long)out.common);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return 0;
}
static int test_compare_with_mask(const char *input)
{
struct msa *ref = read_input(input);
struct msa *test_msa = read_input(input);
if (!ref || !test_msa) return -1;
kalign_run(ref, 1, -1, -1, -1, -1, 0, 0);
kalign_run(test_msa, 1, -1, -1, -1, -1, 0, 0);
/* Create a mask that includes all columns */
int n_cols = ref->alnlen;
int *mask = malloc(sizeof(int) * n_cols);
if (!mask) {
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
for (int i = 0; i < n_cols; i++) mask[i] = 1;
struct poar_score out;
memset(&out, 0, sizeof(out));
int rv = kalign_msa_compare_with_mask(ref, test_msa, mask, n_cols, &out);
if (rv != 0) {
fprintf(stderr, " kalign_msa_compare_with_mask returned %d\n", rv);
free(mask);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
/* All columns masked in → same as full comparison → perfect scores */
if (fabs(out.recall - 1.0) > 0.001 || fabs(out.precision - 1.0) > 0.001) {
fprintf(stderr, " FAIL: mask-all recall=%.4f prec=%.4f\n", out.recall, out.precision);
free(mask);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
/* Now test with partial mask (first half only) */
for (int i = n_cols / 2; i < n_cols; i++) mask[i] = 0;
memset(&out, 0, sizeof(out));
rv = kalign_msa_compare_with_mask(ref, test_msa, mask, n_cols, &out);
if (rv != 0) {
fprintf(stderr, " kalign_msa_compare_with_mask (partial) returned %d\n", rv);
free(mask);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
/* Partial mask self-compare should still give perfect scores */
if (fabs(out.recall - 1.0) > 0.001) {
fprintf(stderr, " FAIL: partial mask recall=%.4f\n", out.recall);
free(mask);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return -1;
}
fprintf(stdout, " compare_with_mask: full-mask OK, partial-mask OK\n");
free(mask);
kalign_free_msa(ref);
kalign_free_msa(test_msa);
return 0;
}
static int test_check_msa(const char *input)
{
struct msa *msa = read_input(input);
if (!msa) return -1;
/* kalign_check_msa checks for duplicate sequences.
* Our test files shouldn't have exact duplicates. */
msa->quiet = 1;
int rv = kalign_check_msa(msa, 0);
if (rv != 0) {
fprintf(stderr, " kalign_check_msa returned %d\n", rv);
kalign_free_msa(msa);
return -1;
}
fprintf(stdout, " check_msa: OK (%d sequences validated)\n", msa->numseq);
kalign_free_msa(msa);
return 0;
}
static int test_reformat_settings(const char *input)
{
struct msa *msa = read_input(input);
if (!msa) return -1;
/* First align so we have gaps */
int rv = kalign_run(msa, 1, -1, -1, -1, -1, 0, 0);
if (rv != 0) {
fprintf(stderr, " initial align failed\n");
kalign_free_msa(msa);
return -1;
}
/* Test rename */
rv = reformat_settings_msa(msa, 1, 0);
if (rv != 0) {
fprintf(stderr, " reformat_settings_msa(rename) returned %d\n", rv);
kalign_free_msa(msa);
return -1;
}
/* Verify names were changed to SEQ1, SEQ2, etc. */
for (int i = 0; i < msa->numseq; i++) {
char expected[32];
snprintf(expected, sizeof(expected), "SEQ%d", i + 1);
if (strncmp(msa->sequences[i]->name, expected, strlen(expected)) != 0) {
fprintf(stderr, " FAIL: seq %d name='%s' expected='%s'\n",
i, msa->sequences[i]->name, expected);
kalign_free_msa(msa);
return -1;
}
}
fprintf(stdout, " reformat rename: OK\n");
/* Test unalign — zeroes the gaps[] array and sets status to unaligned.
* Note: dealign_msa operates on the internal gaps[] representation,
* not on seq->seq (which holds finalised text with '-' chars). */
rv = reformat_settings_msa(msa, 0, 1);
if (rv != 0) {
fprintf(stderr, " reformat_settings_msa(unalign) returned %d\n", rv);
kalign_free_msa(msa);
return -1;
}
/* After unalign, all gaps[] entries should be zero */
for (int i = 0; i < msa->numseq; i++) {
for (int j = 0; j <= msa->sequences[i]->len; j++) {
if (msa->sequences[i]->gaps[j] != 0) {
fprintf(stderr, " FAIL: seq %d gaps[%d]=%d after unalign\n",
i, j, msa->sequences[i]->gaps[j]);
kalign_free_msa(msa);
return -1;
}
}
}
fprintf(stdout, " reformat unalign: OK (gaps[] zeroed)\n");
kalign_free_msa(msa);
return 0;
}
static int test_write_roundtrip(const char *input)
{
/* Align, write to fasta, read back, compare */
struct msa *msa = read_input(input);
if (!msa) return -1;
int rv = kalign_run(msa, 1, -1, -1, -1, -1, 0, 0);
if (rv != 0) {
kalign_free_msa(msa);
return -1;
}
const char *tmpfile = "test_roundtrip.fa";
rv = kalign_write_msa(msa, (char *)tmpfile, "fasta");
if (rv != 0) {
fprintf(stderr, " kalign_write_msa(fasta) returned %d\n", rv);
kalign_free_msa(msa);
return -1;
}
/* Read it back */
struct msa *msa2 = NULL;
rv = kalign_read_input((char *)tmpfile, &msa2, 1);
if (rv != 0 || msa2 == NULL) {
fprintf(stderr, " failed to read back written fasta\n");
kalign_free_msa(msa);
remove(tmpfile);
return -1;
}
/* Compare: same number of sequences, same alignment content */
if (msa->numseq != msa2->numseq) {
fprintf(stderr, " FAIL: numseq %d vs %d\n", msa->numseq, msa2->numseq);
kalign_free_msa(msa);
kalign_free_msa(msa2);
remove(tmpfile);
return -1;
}
/* Use kalign_msa_compare for a real score check */
float score = 0;
rv = kalign_msa_compare(msa, msa2, &score);
if (rv != 0) {
fprintf(stderr, " kalign_msa_compare on roundtrip returned %d\n", rv);
kalign_free_msa(msa);
kalign_free_msa(msa2);
remove(tmpfile);
return -1;
}
if (fabsf(score - 100.0f) > 0.01f) {
fprintf(stderr, " FAIL: roundtrip score=%.2f (expected 100.0)\n", score);
kalign_free_msa(msa);
kalign_free_msa(msa2);
remove(tmpfile);
return -1;
}
fprintf(stdout, " write fasta roundtrip: score=%.1f OK\n", score);
kalign_free_msa(msa);
kalign_free_msa(msa2);
remove(tmpfile);
return 0;
}
/* ------------------------------------------------------------------ */
/* main: run all tests */
/* ------------------------------------------------------------------ */
int main(int argc, char *argv[])
{
if (argc <= 1) {
fprintf(stderr, "Usage: %s <input.tfa>\n", argv[0]);
return EXIT_FAILURE;
}
const char *input = argv[1];
int ret = EXIT_SUCCESS;
int pass = 0, fail = 0;
struct {
const char *name;
int (*fn)(const char *);
} tests[] = {
{"kalign_run + refine", test_run_with_refine},
{"kalign_run_dist_scale (VSM)", test_run_dist_scale},
{"kalign_run_seeded (consistency)", test_run_seeded},
{"kalign_run_realign", test_run_realign},
{"kalign_post_realign", test_post_realign},
{"kalign_ensemble + realign", test_ensemble_with_realign},
{"kalign_msa_compare_detailed", test_compare_detailed},
{"kalign_msa_compare_with_mask", test_compare_with_mask},
{"kalign_check_msa", test_check_msa},
{"reformat_settings_msa", test_reformat_settings},
{"write fasta roundtrip", test_write_roundtrip},
};
int n_tests = (int)(sizeof(tests) / sizeof(tests[0]));
fprintf(stdout, "=== Kalign API Tests (%d tests) ===\n\n", n_tests);
for (int i = 0; i < n_tests; i++) {
fprintf(stdout, "Test %d/%d: %s\n", i + 1, n_tests, tests[i].name);
if (tests[i].fn(input) != 0) {
fprintf(stdout, " FAIL\n\n");
fail++;
ret = EXIT_FAILURE;
} else {
fprintf(stdout, " PASS\n\n");
pass++;
}
}
fprintf(stdout, "=== Results: %d passed, %d failed (of %d) ===\n",
pass, fail, n_tests);
return ret;
}
|