rudimentary diffraction scan writer (9baa6313) · Commits · Zolnierczuk, Piotr / pysen

pysen/inout/writer.py

+33 −29

Original line number	Diff line number	Diff line
		@@ -33,6 +33,7 @@ def get_phase_index(scan_index, offset=0):




		class DiffractionWriter(DiffractionScan):
		"Convert EPICS/ADARA/NeXus file to diffrun .dat file"

		@@ -50,8 +51,8 @@ class DiffractionWriter(DiffractionScan):
		diffrun = self.make_filename(self.info['base'])
		with open(os.path.join(outdir, diffrun), 'wt', encoding='ascii') as fd:
		#
		fd.write('"############################"\n')
		fd.write('"### Starting diffraction run" %s\n' % self.info['time'])
		fd.write( "\"############################\"\n")
		fd.write(f"\"### Starting diffraction run\" {self.info['time']}\n")
		self.log.info("%s: creating diffrun .dat file", diffrun)

		lmin = self.info.get('lmin', 5.0)*ANGSTROM
		@@ -60,9 +61,11 @@ class DiffractionWriter(DiffractionScan):
		lambda_tab = (lambda_tab[1:]+lambda_tab[:-1])/2
		attpow = get_attenuator_pos(self.info.get('moatt', 0.0))

		upcnt = None
		for iq, res in self.data.items():
		spin_up = not iq%2
		fd.write('"############################"\n')
		spin_lbl = "Spin up" if spin_up else "Spin down"
		fd.write( "\"############################\"\n")
		fd.write( "-------------- physics parameters -----------------\n")
		fd.write(f"lambda = {lmax:g}\n")
		fd.write(f"lambdaMin = {lmin:g}\n")
		@@ -76,43 +79,44 @@ class DiffractionWriter(DiffractionScan):

		qmin = res.get('qmin')
		pcharge = res['pcharge']*PROTON_CHARGE_UNIT # convert to echo units
		detsum = res['neutron'].shape[-1]
		detwin = detsum

		fd.write(f"\"Q\" {qmin:g} ")
		# detector data
		neutrons = res['neutron']
		xbin = self.info['xbin']
		ybin = self.info['ybin']
		tbin = self.info['tbin']
		h3,_ = np.histogramdd((neutrons[0], neutrons[1], neutrons[2]),
		bins=(tbin, ybin, xbin))
		detsum = neutrons.shape[-1]
		tofdet = h3.sum(axis=(1,2))
		detwin = int(np.sum(h3[:,10:22,10:22])) # FIXME: hardcoded detwin
		if spin_up:
		fd.write(f"\"Spin up\" ")
		else:
		fd.write(f"\"Spin down\" ")
		upcnt = detsum

		fd.write(f"\"Q\" {qmin:g} \"{spin_lbl}\" ")
		fd.write(f"\"Proton charge\" {pcharge:.0f} ")
		detsum = res['neutron'].shape[-1]
		detwin = detsum
		fd.write(f"\"Det sum\" {detsum} ")
		fd.write(f"\"Det win\" {detwin} ")
		# FIXME HERE
		fd.write(f"\"Det tc sum\"\n")
		for _ in range(42):
		fd.write(f"0\n")
		fd.write(f"\"Mon1 tc sum\"\n")
		for _ in range(42):
		fd.write(f"0\n")
		fd.write(f"\"Mon2 tc sum\"\n")
		for _ in range(42):
		fd.write(f"0\n")
		fd.write(f"\n")
		fd.write( "\"Det tc sum\"\n")
		fd.write("\n".join([f"{val:.0f}" for val in tofdet]))
		fd.write( "\n\"Mon1 tc sum\"\n")
		fd.write("\n".join(["0" for _ in tofdet]))
		fd.write( "\n\"Mon2 tc sum\"\n")
		fd.write("\n".join(["0" for _ in tofdet]))
		fd.write( "\n")
		#
		fd.write(f"\"Q\" {qmin:g} ")
		if spin_up:
		fd.write(f"\"Spin up\" ")
		else:
		fd.write(f"\"Spin down\" ")
		fd.write(f"\"Q\" {qmin:g} \"{spin_lbl}\" ")
		fd.write(f"\"Det sum/proton charge\" {detsum/pcharge:g} ")
		fd.write(f"\"Det win/proton charge\" {detwin/pcharge:g} ")
		fd.write( "\n")

		if not spin_up:
		if detsum>0:
		fr = upcnt/detsum
		else:
		fr = np.nan
		fd.write(f"\"Q\" {qmin:g} ")
		fd.write(f"\"flip ratio\" 1.0\n")
		fd.write(f"\"flip ratio\" {fr:g}\n")

		self.log.info("%s: done", diffrun)