Ejemplo n.º 1
0
    def test_spectrum_ParentPeakMower(self):
        thisfilter = pyopenms.ParentPeakMower()

        new_firstspec = self.exp[1]
        thisfilter.filterSpectrum(new_firstspec)

        self.assertNotEqual(new_firstspec.size(), 0)
        self.assertNotEqual(new_firstspec, self.exp[1])

        # TODO
        self.assertEqual(new_firstspec[10].getMZ(), self.exp[1][10].getMZ())
        self.assertEqual(new_firstspec[10].getIntensity(),
                         self.exp[1][10].getIntensity())
Ejemplo n.º 2
0
    def test_map_ParentPeakMower(self):
        thisfilter = pyopenms.ParentPeakMower()

        self.exp[0].setMSLevel(2)
        old_firstspec = self.exp[0]
        old_secondspec = self.exp[1]
        thisfilter.filterPeakMap(self.exp)

        # the MS1 should not be processed
        self.assertNotEqual(self.exp.size(), 0)
        self.assertEqual(old_firstspec, self.exp[0])
        self.assertNotEqual(old_secondspec, self.exp[1])

        # TODO
        self.assertEqual(old_secondspec[10].getMZ(), self.exp[1][10].getMZ())
        self.assertEqual(old_secondspec[10].getIntensity(),
                         self.exp[1][10].getIntensity())
Ejemplo n.º 3
0
    def test_map_ParentPeakMower(self):
        thisfilter = pyopenms.ParentPeakMower()
        param = thisfilter.getDefaults()
        param.setValue(b"window_size", 20.0, b"")
        param.setValue(b"set_to_zero", True, b"")
        thisfilter.setParameters(param)

        self.assertEqual(self.exp.size(), 5)
        self.assertEqual(self.exp[0].getMSLevel(), 1)

        map = []
        for spec in self.exp:
            if spec.getMSLevel() != 1:
                map.append(spec)

        self.exp.setSpectra(map)

        self.assertEqual(self.exp.size(), 3)
        self.assertEqual(self.exp[0].getMSLevel(), 2)
        self.assertEqual(self.exp[1].getMSLevel(), 2)
        self.assertEqual(self.exp[2].getMSLevel(), 2)

        old_firstspec = self.exp[0]
        old_secondspec = self.exp[1]

        thisfilter.filterPeakMap(self.exp)

        a = old_firstspec
        b = self.exp[0]
        self.assertEqual(a[174].getIntensity(), b[174].getIntensity())
        self.assertNotEqual(a[175].getIntensity(), b[175].getIntensity())
        self.assertNotEqual(a[201].getIntensity(), b[201].getIntensity())
        self.assertEqual(a[202].getIntensity(), b[202].getIntensity())

        # All peaks between 174 and 202 should be zero
        for i in range(175, 202, 1):
            self.assertEqual(b[i].getIntensity(), 0)
            self.assertEqual(a[i].getMZ(), b[i].getMZ())