def exercise_1(prefix="tst_add_arrows_on_plot_1"):
model = mmtbx.model.manager(
model_input=iotbx.pdb.input(source_info=None, lines=pdb_str))
rama = ramalyze(model.get_hierarchy(), out=null_out())
plots = rama.get_plots(show_labels=True,
point_style='bo',
markersize=1,
markeredgecolor="black",
dpi=300,
markerfacecolor="white")
ad_testing = []
ad_testing.append(((60, -120), (120, -120)))
ad_testing.append(((-125, 120), (-125, 179)))
ad_testing.append(((-120, 120), (-120, -120))) # wrapping up
ad_testing.append(((-115, -120), (-115, 120))) # wrapping down
ad_testing.append(((120, -60), (-120, -60))) # wrapping right
ad_testing.append(((-120, -65), (120, -65))) # wrapping left
ad_testing.append(((120, 0), (-120, 60))) # diag right
ad_testing.append(((-120, 55), (120, -5))) # diag left
ad_testing.append(((-60, 120), (0, -120))) # diag up
ad_testing.append(((5, -120), (-55, 120))) # diag up
ad_testing.append(
((150, 150), (-150, -150))) # going to top right corner straight
ad_testing.append(
((140, 155), (-130, -140))) # going to top right corner not straight
ad_testing.append(
((150, -150), (-150, 150))) # going to bottom right corner straight
ad_testing.append(
((140, -155), (-130,
140))) # going to bottom right corner not straight
ad_testing.append(
((-150, 150), (150, -150))) # going to top left corner straight
ad_testing.append(
((-140, 155), (130, -140))) # going to top left corner not straight
ad_testing.append(
((-150, -150), (150, 150))) # going to bottom left corner straight
ad_testing.append(
((-140, -155), (130, 140))) # going to bottom left corner not straight
plot = plots[0]
add_arrows_on_plot(plot, ad_testing, color="red")
plot_file_name = "%s.png" % prefix
plot.save_image(plot_file_name, dpi=300)
img = Image.open(plot_file_name)
hist = img.histogram()
# print(hist)
hist_ok = True
for ref, res in zip(reference_hist, hist):
if (ref != res) and not (0.98 < ref / res < 1.02):
hist_ok = False
# print (ref, res, ref/res)
assert hist_ok
def exercise_1(prefix="tst_add_arrows_on_plot_1"):
model = mmtbx.model.manager(
model_input=iotbx.pdb.input(source_info=None, lines=pdb_str))
rama = ramalyze(model.get_hierarchy(), out=null_out())
plots = rama.get_plots(show_labels=True,
point_style='bo',
markersize=1,
markeredgecolor="black",
dpi=300,
markerfacecolor="white")
ad_testing = []
ad_testing.append(((60, -120), (120, -120)))
ad_testing.append(((-125, 120), (-125, 179)))
ad_testing.append(((-120, 120), (-120, -120))) # wrapping up
ad_testing.append(((-115, -120), (-115, 120))) # wrapping down
ad_testing.append(((120, -60), (-120, -60))) # wrapping right
ad_testing.append(((-120, -65), (120, -65))) # wrapping left
ad_testing.append(((120, 0), (-120, 60))) # diag right
ad_testing.append(((-120, 55), (120, -5))) # diag left
ad_testing.append(((-60, 120), (0, -120))) # diag up
ad_testing.append(((5, -120), (-55, 120))) # diag up
ad_testing.append(
((150, 150), (-150, -150))) # going to top right corner straight
ad_testing.append(
((140, 155), (-130, -140))) # going to top right corner not straight
ad_testing.append(
((150, -150), (-150, 150))) # going to bottom right corner straight
ad_testing.append(
((140, -155), (-130,
140))) # going to bottom right corner not straight
ad_testing.append(
((-150, 150), (150, -150))) # going to top left corner straight
ad_testing.append(
((-140, 155), (130, -140))) # going to top left corner not straight
ad_testing.append(
((-150, -150), (150, 150))) # going to bottom left corner straight
ad_testing.append(
((-140, -155), (130, 140))) # going to bottom left corner not straight
plot = plots[0]
add_arrows_on_plot(plot, ad_testing, color="black")
plot_file_name = "%s.png" % prefix
plot.save_image(plot_file_name, dpi=300)
hasher = hashlib.md5()
with open(plot_file_name, 'rb') as afile:
buf = afile.read()
hasher.update(buf)
fhash = hasher.hexdigest()
assert fhash == reference_md5, "%s != %s" % (fhash, reference_md5)