}
if ($ostype == 2) {
$matchresult = filterthroughcmd2("{$qstruct} ", "{$mmcmd}");
}
}
$br = explode("\n", $matchresult);
for ($i = 0; $i < $bi; $i++) {
if (strpos($br[$i], ":T") !== FALSE) {
$hits++;
// output of the hits, if they are not too many...
if ($hits > $maxhits) {
echo "</table>\n<hr>\n";
echo "<br>Too many hits (>{$maxhits})! Aborting....<br>\n</body></html>\n";
exit;
}
showHit($b[$i], "");
if ($enable_download == "y" && $hits_s <= $download_limit) {
$hits_s++;
if (strlen($hitlist_s) > 0) {
$hitlist_s .= ",";
}
$hitlist_s .= $db_id . ":" . $b[$i];
}
}
// else echo "<br>miss: $b[$i]<br>\n";
}
if ($use_cmmmsrv == "y") {
$qstruct = '';
} else {
$qstruct = $safemol;
}
$nhits = mysql_num_rows($result);
if ($nhits > 0) {
echo "<table width=\"100%\">\n";
while ($line = mysql_fetch_array($result)) {
$item_id = $line[$idname];
$hits++;
// output of the hits, if they are not too many...
if ($hits > $maxhits) {
echo "</table>\n";
echo "<p>Too many hits (>{$maxhits})! Aborting....</p>\n";
echo "</body>\n";
echo "</html>\n";
exit;
}
if ($dbtype == 1) {
showHit($item_id, "");
if ($enable_download == "y" && $hits_s <= $download_limit) {
$hits_s++;
if (strlen($hitlist_s) > 0) {
$hitlist_s .= ",";
}
$hitlist_s .= $db_id . ":" . $item_id;
}
}
if ($dbtype == 2) {
showHitRxn($item_id, "");
if ($enable_download == "y" && $hits_r <= $download_limit) {
$hits_r++;
if (strlen($hitlist_r) > 0) {
$hitlist_r .= ",";
}
$result = mysql_query($qstr) or die("Query failed (#1b1)!");
$hits = 0;
$nhits = mysql_num_rows($result);
$nhitstotal = $nhitstotal + $nhits;
while ($line = mysql_fetch_array($result)) {
$mol_id = $line['mol_id'];
$hits++;
// output of the hits, if they are not too many...
if ($hits > $maxhits) {
echo "</table>\n<hr>\n";
echo "<p>Too many hits (>{$maxhits})! Aborting....</p>\n";
echo "</body>\n";
echo "</html>\n";
exit;
}
showHit($mol_id, "");
if ($enable_download == "y" && $hits_s <= $download_limit) {
$hits_s++;
if (strlen($hitlist_s) > 0) {
$hitlist_s .= ",";
}
$hitlist_s .= $db_id . ":" . $mol_id;
}
}
// end while($line)...
mysql_free_result($result);
// get total number of structures in the database
$n_qstr = "SELECT COUNT(mol_id) AS count FROM {$molfgbtable};";
$n_result = mysql_query($n_qstr) or die("Could not get number of entries!");
while ($n_line = mysql_fetch_array($n_result, MYSQL_ASSOC)) {
$n_structures = $n_line["count"];
if ($hits > 1) {
echo ", sorted by similarity";
}
echo " (Tanimoto index in parentheses, relative weight of functional similarity = {$fsim100}%)</small><p />\n";
if ($hits > 0) {
$hitlist = "";
for ($h = 0; $h < $hits; $h++) {
$hit_id = $hit[$h][0];
$hit_s = $hit[$h][1];
$hit_s_formatted = "(" . sprintf("%1.4f", $hit_s) . ")";
$db_id = $hit[$h][2];
$dbprefix = $prefix . "db" . $db_id . "_";
$molstructable = $dbprefix . $molstrucsuffix;
$moldatatable = $dbprefix . $moldatasuffix;
$pic2dtable = $dbprefix . $pic2dsuffix;
showHit($hit_id, $hit_s_formatted);
if ($h < $download_limit) {
if (strlen($hitlist) > 0) {
$hitlist .= ",";
}
$hitlist .= $db_id . ":" . $hit_id;
}
//echo "hit $h: $hit_id ($hit_s)<br>\n";
}
}
echo "</table>\n<hr>\n";
if ($nsel == 0) {
echo "no structure data collection selected!<br>\n<hr>\n";
}
echo "{$nastr}";
$time_end = getmicrotime();
