mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-14 10:03:51 +01:00
141 lines
4.1 KiB
Python
Executable File
141 lines
4.1 KiB
Python
Executable File
#!/usr/bin/env python
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# -*- coding: utf-8 -*-
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import sys
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import matplotlib.pyplot as plt
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from matplotlib import lines
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from pylab import *
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if __name__ == '__main__':
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inputfile = sys.argv[1]
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with open(str(inputfile),'r') as f:
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vec_s1 = [float(x) for x in f.readline().split()]
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mat_I = np.array([[float(x) for x in ln.split()] for ln in f])
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#mat_I = np.loadtxt(str(inputfile),skiprows=1)
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print vec_s1
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print mat_I
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#enable the following lines if you dont have a working X display
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#import matplotlib
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#matplotlib.use('Agg')
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#MUTUALI INFORMATION PLOT:
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# edit the following line to select the orbitals...
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zselect=False
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if zselect:
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select =[]
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select.extend(range(34,132))
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select = [x-1 for x in select]
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nselect = len(select)
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vec_s1_s = np.zeros(nselect)
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mat_I_s = np.zeros((nselect,nselect))
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print mat_I_s, vec_s1_s
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for i,x in enumerate(select):
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vec_s1_s[i]=vec_s1[x]
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for i,x in enumerate(select):
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for j,y in enumerate(select):
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mat_I_s[i,j] = mat_I[x,y]
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print vec_s1_s
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print mat_I_s
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vec_s1 = vec_s1_s
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mat_I = mat_I_s
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#end selection
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N= len(mat_I)
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print N
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theta = np.zeros(N)
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r=np.zeros(N)
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labels=np.zeros(N)
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area=np.zeros(N)
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for i in range(N):
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theta[i]=-2*pi/N*i+pi/2
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r[i]=1.0
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if zselect:
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labels[i]=select[i]+1
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else:
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labels[i]=i+1
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area[i]=vec_s1[i]*500
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if (len(sys.argv) > 2):
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for j in range(2,len(sys.argv)):
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if (sys.argv[j] == '-c'):
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coordfile = sys.argv[j+1]
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with open(str(coordfile),'r') as f:
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for i in range(N):
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line = f.readline().split()
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theta[i] = float(line[0]) +pi/2
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r[i] = float(line[1])
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print 'theta=',theta
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print 'r=',r
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ax = plt.subplot(111,polar=True)
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ax.set_xticklabels([])
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ax.set_yticklabels([])
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ax.grid(b=False)
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c = plt.scatter(theta,r,c="Red",s=area)
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if (len(sys.argv) > 2):
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for j in range(2,len(sys.argv)):
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print 'sys.argv',j,sys.argv[j]
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if (sys.argv[j] == '-t'):
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plt.title(sys.argv[j+1])
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break
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else:
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plt.title('N = '+str(N/2)+', Results file: '+sys.argv[1])
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#this is dummy:
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#c1 = plt.scatter(theta,(r+0.05),c="red",s=0)
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for i in range(N):
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# plt.annotate(int(labels[i]),xy=(theta[i],(r[i]+0.2)),size='xx-large',)
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plt.text(theta[i],(r[i]+0.25),int(labels[i]),size='x-small',ha='center',va='center')
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for j in range(i,N):
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x =[theta[i],theta[j]]
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y =[r[i],r[j]]
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#y =[1,1]
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if mat_I[i,j] >= 0.1:
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line1 = lines.Line2D(x, y, linewidth=3, color='black',linestyle='-', alpha=0.8,label='0.1')
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ax.add_line(line1)
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elif mat_I[i,j] >=0.01:
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line2 = lines.Line2D(x, y, linewidth=3, color='green',linestyle='-', alpha=0.8,label='0.01')
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ax.add_line(line2)
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elif mat_I[i,j] >=0.001:
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line3 = lines.Line2D(x, y, linewidth=3, color='gray',linestyle='-', alpha=0.6,label='0.001')
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ax.add_line(line3)
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params = {'legend.fontsize': 16,
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'legend.linewidth': 2}
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#need to check if the three types of lines really exist.
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if 'line1' in locals() and 'line2' in locals() and 'line3' in locals():
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ax.legend([line1, line2, line3],[line1.get_label(),line2.get_label(),line3.get_label()],bbox_to_anchor=(0.00,1.0),fancybox=True,shadow=True)
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elif 'line1' in locals() and 'line2' in locals():
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ax.legend([line1, line2],[line1.get_label(),line2.get_label()],bbox_to_anchor=(0.00,1.0),fancybox=True,shadow=True)
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elif 'line1' in locals() and 'line3' in locals():
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ax.legend([line1, line3],[line1.get_label(),line3.get_label()],bbox_to_anchor=(0.00,1.0),fancybox=True,shadow=True)
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elif 'line2' in locals() and 'line3' in locals():
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ax.legend([line2, line3],[line2.get_label(),line3.get_label()],bbox_to_anchor=(0.00,1.0),fancybox=True,shadow=True)
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elif 'line1' in locals():
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ax.legend([line1],[line1.get_label()],bbox_to_anchor=(0.00,1.0),fancybox=True,shadow=True)
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elif 'line2' in locals():
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ax.legend([line3],[line2.get_label()],bbox_to_anchor=(0.00,1.0),fancybox=True,shadow=True)
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elif 'line3' in locals():
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ax.legend([line2],[line3.get_label()],bbox_to_anchor=(0.00,1.0),fancybox=True,shadow=True)
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#probably not the best way to code it.
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#for saving, enable matplotlib.use('Agg')
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#plt.savefig(str(sys.argv[1])+'.eps')
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plt.show()
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