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import os
import coot
import math
import matplotlib
matplotlib.use('agg')
import matplotlib.pyplot as plt
def cairoplot_pathology_plots(mtz, fp, sigfp):
import cairo
import cairoplot
try:
print("getting data for", mtz)
data = coot.pathology_data(mtz, fp, sigfp)
# print len(data), data
prefix,tail = os.path.splitext(mtz)
for i in range(4):
png_file_name = prefix + "-" + str(i) + ".png"
print( "making plot", png_file_name)
yt = 'I'
xt = 'Resolution'
if i == 1:
yt = 'I/SIGI'
if i == 2:
yt = 'SIGI'
if i == 3:
yt = 'I/SIGI'
xt = "I"
cairoplot.scatter_plot(png_file_name,
data = data[i+1],
# series_colors = ['black'],
series_colors = [[0.2, 0.2, 0.2]],
width = 600, height = 600, border = 20,
discrete = True,
x_title = xt,
y_title = yt,
dots = True,
axis = True)
except TypeError as e:
print( "caught TypeError:", e)
# these can be I, SIGI also
#
def pathology_plots(mtz, fp, sigfp):
# these can be I, SIGI also
#
def plots(mtz, fp, sigfp):
# meta data
intensity_data = False
if fp[0] == 'I':
intensity_data = True
data = pathology.PathologyData(mtz, fp, sigfp)
# try:
if True:
prefix,tail = os.path.splitext(mtz)
fp_lab = "FP"
sigfp_lab = "SIGFP"
if (intensity_data):
fp_lab = "I"
sigfp_lab = "SIGI"
labels = [("Resolution", fp_lab),
('Resolution', fp_lab + '/' + sigfp_lab),
(fp_lab, sigfp_lab),
(fp_lab, fp_lab + '/' + sigfp_lab)]
z = zip(range(4), labels)
if True:
ii = 0 # label indexing hack
l_0 = labels[ii][0].replace('/', '_')
l_1 = labels[ii][1].replace('/', '_')
png_file_name = prefix + "-" + l_0 + "-vs-" + l_1 + ".png"
n_x_labels = 5
"""
if l_0 == "Resolution":
for j in range(n_x_labels):
f = data.invresolsq_max() * j / n_x_labels
if f == 0:
x_label = "Inf"
else:
x_label = str(round(math.sqrt(1/f), 3));
# print j, x_label
x_labels[j] = x_label
else:
x_labels = None
"""
fig1 = plt.figure()
xdata = [x[0] for x in data.fp_vs_reso()]
ydata = [y[1] for y in data.fp_vs_reso()]
ymin = 0
if (intensity_data):
ymin = min(ydata)
xmax = max(xdata)
ymax = max(ydata)
plt.xlim(0, xmax)
plt.ylim(ymin, ymax)
s = 8
# If this is F data the the y axis min should be 0.
# The x-axis min should be 0.
print("making plot", png_file_name)
l = plt.scatter(xdata, ydata, s, alpha=0.2)
plt.savefig(png_file_name)
# except TypeError as e:
# print "caught TypeError:", e
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