def get_maxima(self, threshold = 5.0):
'''Run diffdump, printpeaks to get a list of diffraction maxima
at their image positions, to allow for further analysis.'''
if not self._image:
raise RuntimeError, 'image not set'
if not os.path.exists(self._image):
raise RuntimeError, 'image %s does not exist' % \
self._image
dd = Diffdump()
dd.set_image(self._image)
header = dd.readheader()
beam = header['raw_beam']
pixel = header['pixel']
template, directory = image2template_directory(self._image)
image_number = image2image(os.path.split(self._image)[-1])
spot_file = '%s.spt' % template_number2image(
template, image_number)
self.start()
self.input('template "%s"' % template)
self.input('directory "%s"' % directory)
self.input('findspots local find %d file %s' % \
(image_number, spot_file))
self.input('go')
self.close_wait()
self.check_for_errors()
output = open(os.path.join(self.get_working_directory(),
spot_file)).readlines()
os.remove(os.path.join(self.get_working_directory(),
spot_file))
peaks = []
for record in output[3:-2]:
lst = record.split()
x = float(lst[0])
y = float(lst[1])
i = float(lst[4]) / float(lst[5])
x /= pixel[0]
y /= pixel[1]
if i < threshold:
continue
# this is Mosflm right? Swap X & Y!!
peaks.append((y, x, i))
return peaks
def get_maxima(self):
'''Run diffdump, printpeaks to get a list of diffraction maxima
at their image positions, to allow for further analysis.'''
if not self._image:
raise RuntimeError, 'image not set'
if not os.path.exists(self._image):
raise RuntimeError, 'image %s does not exist' % \
self._image
dd = Diffdump()
dd.set_image(self._image)
header = dd.readheader()
beam = header['raw_beam']
pixel = header['pixel']
self.add_command_line(self._image)
self.start()
self.close_wait()
self.check_for_errors()
# results were ok, so get all of the output out
output = self.get_all_output()
peaks = []
for record in output:
if not 'Peak' in record[:4]:
continue
lst = record.replace(':', ' ').split()
x = float(lst[4])
y = float(lst[6])
i = float(lst[-1])
x += beam[0]
y += beam[1]
x /= pixel[0]
y /= pixel[1]
peaks.append((x, y, i))
return peaks
