$mod15n = array_key_exists('mod15n', $_POST) ? $_POST['mod15n'] : ''; $mod1acc = array_key_exists('mod1acc', $_POST) ? $_POST['mod1acc'] : ''; $mod2acc = array_key_exists('mod2acc', $_POST) ? $_POST['mod2acc'] : ''; $mod3acc = array_key_exists('mod3acc', $_POST) ? $_POST['mod3acc'] : ''; $mod4acc = array_key_exists('mod4acc', $_POST) ? $_POST['mod4acc'] : ''; $mod5acc = array_key_exists('mod5acc', $_POST) ? $_POST['mod5acc'] : ''; $mod1pos = array_key_exists('mod1pos', $_POST) ? $_POST['mod1pos'] : ''; $mod2pos = array_key_exists('mod2pos', $_POST) ? $_POST['mod2pos'] : ''; $mod3pos = array_key_exists('mod3pos', $_POST) ? $_POST['mod3pos'] : ''; $mod4pos = array_key_exists('mod4pos', $_POST) ? $_POST['mod4pos'] : ''; $mod5pos = array_key_exists('mod5pos', $_POST) ? $_POST['mod5pos'] : ''; $arrIons = array_key_exists('ioncalc', $_POST) ? $_POST['ioncalc'] : ''; $iccharge = array_key_exists('iccharge', $_POST) ? $_POST['iccharge'] : ''; $spectrum = array_key_exists('spectrum', $_POST) ? $_POST['spectrum'] : ''; if ($ismodified === 'true') { $pep = new ModifiedPeptide(); $pepvalid = $pep->setModifiedSequence($sequence) ? 'true' : 'false'; } else { $pep = new Peptide(); $pep->Sequence = $sequence; $pepvalid = $pep->validateSequence($sequence) ? 'true' : 'false'; } if ($nterminus !== '') { $pep->NTerminus = $nterminus; } if ($cterminus !== '') { $pep->CTerminus = $cterminus; } if ($pepvalid === 'true') { if ($cterminus !== '') { $ctermmass = strval($pep->getCTerminusMass('monoisotopic'));
print 'Peptide mass: ' . strval($modpep->getMass('monoisotopic')) . '<br />'; print 'Calculated MCR 2: ' . strval($modpep->getTheoreticalMCR('monoisotopic', 2)) . '<br />'; $modpep = new ModifiedPeptide(); $modpep->setModifiedSequence('LSN(pS)GDAKVR'); $modpep->NTerminus = 'H'; $modpep->CTerminus = 'OH'; print '<h3>Test for ' . $modpep->Sequence . ' with Phosphosite</h3>'; print 'Mass C-Terminus: ' . strval($modpep->getCTerminusMass('monoisotopic')) . '<br />'; print 'Mass N-Terminus: ' . strval($modpep->getNTerminusMass('monoisotopic')) . '<br />'; print 'Peptide mass: ' . strval($modpep->getMass('monoisotopic')) . '<br />'; print 'Calculated MCR 2: ' . strval($modpep->getTheoreticalMCR('monoisotopic', 2)) . '<br />'; $modpep = new ModifiedPeptide(); $modpep->setModifiedSequence('(pS)YTNLLDLASGNFPVMGR'); $modpep->NTerminus = 'H'; $modpep->CTerminus = 'OH'; print '<h3>Test for ' . $modpep->Sequence . ' with Phosphosite</h3>'; print 'Mass C-Terminus: ' . strval($modpep->getCTerminusMass('monoisotopic')) . '<br />'; print 'Mass N-Terminus: ' . strval($modpep->getNTerminusMass('monoisotopic')) . '<br />'; print 'Peptide mass: ' . strval($modpep->getMass('monoisotopic')) . '<br />'; print 'Calculated MCR 2: ' . strval($modpep->getTheoreticalMCR('monoisotopic', 2)) . '<br />'; $modpep = new ModifiedPeptide(); $modpep->setModifiedSequence('VNIKAPGD(pS)PNTDGIK'); $modpep->NTerminus = 'H'; $modpep->CTerminus = 'OH'; print '<h3>Test for ' . $modpep->Sequence . ' with Phosphosite</h3>'; print 'Mass C-Terminus: ' . strval($modpep->getCTerminusMass('monoisotopic')) . '<br />'; print 'Mass N-Terminus: ' . strval($modpep->getNTerminusMass('monoisotopic')) . '<br />'; print 'Peptide mass: ' . strval($modpep->getMass('monoisotopic')) . '<br />'; print 'Calculated MCR 2: ' . strval($modpep->getTheoreticalMCR('monoisotopic', 2)) . '<br />'; /* End of file CustomTestsPeptide.php */ /* Location: ./path/CustomTestsPeptide.php */
<?php /** * CustomTestsIonCalc.php * * Custom tests for the IonCalculator class * @author Robert Schmidt <*****@*****.**> * @version 0.1 * @package mpimp.phprot * @subpackage */ include_once '../PhProt.php'; $pp = new PhProt(); $pp->using('base'); $pp->using('peptide'); $pep = new ModifiedPeptide(); $pep->Sequence = 'KDEPAEESDGDLGFGLFD'; $pep->NTerminus = 'H'; $pep->CTerminus = 'OH'; $pep->addModification(array('accession' => 21, 'position' => 7)); $strIon = 'b'; $ic = new IonCalculator(array('peptide' => $pep, 'maxcharge' => 3, 'weighttype' => 'monoisotopic', 'neutralloss' => array('H2O', 'NH3'), 'customtemplate' => '{ion}{index}{charge} {flag}')); print '<h3>Testing</h3>'; print 'Peptide: ' . $pep->Sequence . '<br />'; print '<h3>Result for ' . $strIon . '-Ions</h3>'; print '<table style="border: null">'; $arrResult = $ic->calculateIon($strIon); for ($i = 0; $i < count($arrResult); $i++) { print '<tr><td>' . strval($arrResult[$i]['mass']) . '</td><td>' . $arrResult[$i]['ion'] . strval($arrResult[$i]['index']) . '</td><td>' . strval($arrResult[$i]['charge']) . '</td><td>' . $arrResult[$i]['flag'] . '</td><td>' . $arrResult[$i]['custom'] . '</td></tr>'; } print '</table>';