70 lines
1.9 KiB
Python
70 lines
1.9 KiB
Python
# -*- coding: utf-8 -*-
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"""
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Demonstrates GLVolumeItem for displaying volumetric data.
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"""
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## Add path to library (just for examples; you do not need this)
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import initExample
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from pyqtgraph.Qt import QtCore, QtGui
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import pyqtgraph.opengl as gl
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app = QtGui.QApplication([])
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w = gl.GLViewWidget()
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w.opts['distance'] = 200
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w.show()
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w.setWindowTitle('pyqtgraph example: GLVolumeItem')
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#b = gl.GLBoxItem()
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#w.addItem(b)
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g = gl.GLGridItem()
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g.scale(10, 10, 1)
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w.addItem(g)
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import numpy as np
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## Hydrogen electron probability density
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def psi(i, j, k, offset=(50,50,100)):
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x = i-offset[0]
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y = j-offset[1]
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z = k-offset[2]
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th = np.arctan2(z, (x**2+y**2)**0.5)
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phi = np.arctan2(y, x)
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r = (x**2 + y**2 + z **2)**0.5
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a0 = 2
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#ps = (1./81.) * (2./np.pi)**0.5 * (1./a0)**(3/2) * (6 - r/a0) * (r/a0) * np.exp(-r/(3*a0)) * np.cos(th)
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ps = (1./81.) * 1./(6.*np.pi)**0.5 * (1./a0)**(3/2) * (r/a0)**2 * np.exp(-r/(3*a0)) * (3 * np.cos(th)**2 - 1)
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return ps
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#return ((1./81.) * (1./np.pi)**0.5 * (1./a0)**(3/2) * (r/a0)**2 * (r/a0) * np.exp(-r/(3*a0)) * np.sin(th) * np.cos(th) * np.exp(2 * 1j * phi))**2
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data = np.fromfunction(psi, (100,100,200))
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positive = np.log(np.clip(data, 0, data.max())**2)
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negative = np.log(np.clip(-data, 0, -data.min())**2)
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d2 = np.empty(data.shape + (4,), dtype=np.ubyte)
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d2[..., 0] = positive * (255./positive.max())
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d2[..., 1] = negative * (255./negative.max())
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d2[..., 2] = d2[...,1]
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d2[..., 3] = d2[..., 0]*0.3 + d2[..., 1]*0.3
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d2[..., 3] = (d2[..., 3].astype(float) / 255.) **2 * 255
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d2[:, 0, 0] = [255,0,0,100]
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d2[0, :, 0] = [0,255,0,100]
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d2[0, 0, :] = [0,0,255,100]
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v = gl.GLVolumeItem(d2)
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v.translate(-50,-50,-100)
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w.addItem(v)
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ax = gl.GLAxisItem()
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w.addItem(ax)
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## Start Qt event loop unless running in interactive mode.
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if __name__ == '__main__':
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import sys
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if (sys.flags.interactive != 1) or not hasattr(QtCore, 'PYQT_VERSION'):
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QtGui.QApplication.instance().exec_()
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