}
if ($strucSearch) {
if ($structSearchType === 'substructure') {
// first let us deconstruct our rxn string into products and reagents.
$results_temp = array();
if ($num_react + $num_prod > 0) {
for ($i = 0; $i < $num_react; $i++) {
$results_temp[] = substruc_search($molecules[$i], 'rel_exp_structure_react', $results_id, 'exp_id');
}
for ($i = $num_react; $i < $num_react + $num_prod; $i++) {
$results_temp[] = substruc_search($molecules[$i], 'rel_exp_structure_prod', $results_id, 'exp_id');
}
} elseif (count($molecules) > 0) {
for ($i = 0; $i < count($molecules); $i++) {
$x = substruc_search($molecules[$i], 'rel_exp_structure_react', $results_id, 'exp_id');
$y = substruc_search($molecules[$i], 'rel_exp_structure_prod', $results_id, 'exp_id');
$results_temp[] = array_merge($x, $y);
}
}
} elseif ($structSearchType === 'exact') {
// exact search
// we will do this by inchi
$results_temp = array();
if ($num_react + $num_prod > 0) {
for ($i = 0; $i < $num_react; $i++) {
$results_temp[] = exact_search($molecules[$i], 'rel_exp_structure_react', $results_id, 'exp_id');
}
for ($i = $num_react; $i < $num_react + $num_prod; $i++) {
$results_temp[] = exact_search($molecules[$i], 'rel_exp_structure_prod', $results_id, 'exp_id');
}
} elseif (count($molecules) > 0) {
}
$req = $bdd->prepare($sql);
$req->execute($sqlArgs);
$results_id = array();
// make array of results id
while ($get_id = $req->fetch()) {
$results_id[] = $get_id['id'];
}
// This counts the number of results - and if there wasn't any it gives them a little message explaining that
$count = count($results_id);
if ($count > 0) {
// then, if necessary, do molecule-based search
if (!empty($mol)) {
if ($structSearchType === 'substructure') {
$results_temp = array();
$results_temp[] = substruc_search($mol, 'compound_registry', $results_id, 'id');
} else {
if ($structSearchType === 'exact') {
// exact search
// we will do this by inchi
$results_temp = array();
$results_temp[] = exact_search($mol, 'compound_registry', $results_id, 'id');
} else {
if ($structSearchType === 'similarity') {
// similarity search
$results_temp = array();
$results_temp[] = similarity_search($mol, 'compound_registry', $results_id, $tanimoto, 'id');
}
}
}
// where we have more than one results set, we treat the query as AND. So we find the intersection of the different
