def test_partial_threshold_search(self):
threshold = 0.1
N = len(fps)
result = search.SearchResults(N, fps.arena_ids)
expected = [[] for i in range(N)]
for i in range(0, N, 13):
for j in range(i, N, 8):
search.partial_threshold_tanimoto_search_symmetric(
result, fps, threshold, i, i + 13, j, j + 8)
slow_threshold_search(expected, fps, threshold, i, i + 13, j,
j + 8)
_compare_search_results(self, result, expected)
counts_before = map(len, result)
search.fill_lower_triangle(result)
counts_after = map(len, result)
self.assertNotEqual(counts_before, counts_after)
self.assertSequenceEqual(
counts_after, search.count_tanimoto_hits_symmetric(fps, threshold))
normal = search.threshold_tanimoto_search_symmetric(fps, threshold)
_compare_search_results(self, result,
list(normal.iter_indices_and_scores()))
def test_partial_search_in_rows(self):
threshold = 0.2
N = len(fps)
result = search.SearchResults(N, fps.arena_ids)
search.partial_threshold_tanimoto_search_symmetric(result, fps, threshold,
1, 9, 0, N)
expected = [[] for i in range(N)]
slow_threshold_search(expected, fps, threshold, 1, 9, 0, N)
_compare_search_results(self, result, expected)
def test_partial_search_in_rows(self):
threshold = 0.2
N = len(fps)
result = search.SearchResults(N, fps.arena_ids)
search.partial_threshold_tanimoto_search_symmetric(
result, fps, threshold, 1, 9, 0, N)
expected = [[] for i in range(N)]
slow_threshold_search(expected, fps, threshold, 1, 9, 0, N)
_compare_search_results(self, result, expected)
def test_partial_threshold_search(self):
threshold = 0.1
N = len(fps)
result = search.SearchResults(N, fps.arena_ids)
expected = [[] for i in range(N)]
for i in range(0, N, 13):
for j in range(i, N, 8):
search.partial_threshold_tanimoto_search_symmetric(result, fps, threshold,
i, i+13, j, j+8)
slow_threshold_search(expected, fps, threshold, i, i+13, j, j+8)
_compare_search_results(self, result, expected)
counts_before = map(len, result)
search.fill_lower_triangle(result)
counts_after = map(len, result)
self.assertNotEqual(counts_before, counts_after)
self.assertSequenceEqual(counts_after,
search.count_tanimoto_hits_symmetric(fps, threshold))
normal = search.threshold_tanimoto_search_symmetric(fps, threshold)
_compare_search_results(self, result, list(normal.iter_indices_and_scores()))