added q_vec to last_sqt_bin (913d1950) · Commits · Zolnierczuk, Piotr / DrSPINE

Makefile.version

+1 −1

Original line number	Diff line number	Diff line
		@@ -3,7 +3,7 @@ export PROJECT=drspine

		export VERSION_MAJOR=1
		export VERSION_MINOR=1
		export VERSION_RELEASE=4
		export VERSION_RELEASE=5

		export PROJLIB=lib$(PROJECT).a
		export PROJARCH=$(PROJECT)-$(VERSION_MAJOR).$(VERSION_MINOR)

python/drspine/init.py

+3 −2

Original line number	Diff line number	Diff line
		#
		__all__ = ['plot_sqt', 'plot_sqt_bin', 'plot_chi2', 'plot_q',
		__all__ = ['plot_sqt', 'plot_sqt_bin', 'plot_chi2',
		'plot_q', 'plot_qvec', 'plot_qmap',
		'plot_fits', 'plot_maps', 'plot_fit_pixel', 'plot_fit_map',
		'drspine_version']

		from .drspine import plot_sqt , plot_sqt_bin, plot_chi2, plot_q
		from .drspine import plot_sqt , plot_sqt_bin, plot_chi2, plot_q, plot_qvec, plot_qmap
		from .fits import plot_fits, plot_maps, plot_fit_pixel, plot_fit_map
		from .version import __version__ as drspine_version

python/drspine/drspine.py

+60 −1

Original line number	Diff line number	Diff line
		@@ -262,6 +262,7 @@ def plot_sqt(filename, **kwargs):
		#13,14 : down, e_down (sig)
		#15,16 : chisq (res), chisq (sig)
		#17 : run_number
		#18-20 : q_vec
		def _load_sqt_bin(filename, full_bw=False):
		s = load_txt(filename, delimiter=',', cleanup=['NaN', 'Infinity'])

		@@ -329,12 +330,70 @@ def plot_chi2(filename, chimax=100.0, nbins=101, ndf=19, full_bw=True):


		def plot_q(filename, full_bw=False, **kwargs):
		"""plot q, i.e. histograms of abs(q)"""
		d = _load_sqt_bin(filename, full_bw)

		bins = kwargs.pop('bins', 41)
		histtype = kwargs.pop('histtype', 'step')

		plt.hist(d[:,4], weights=d[:,11], bins=bins, histtype=histtype, **kwargs)
		q = d[:, 4]
		w = d[:,11] + d[:,13]

		plt.hist(q, weights=w, bins=bins, histtype=histtype, **kwargs)

		plt.grid(True, which='both')
		plt.xlabel(r'Q [$\AA$]')
		plt.ylabel('Intensity (arb)')

		def plot_qvec(filename, full_bw=False, **kwargs):
		"""plot qvec, i.e. histograms of qx,qy and qz"""
		d = _load_sqt_bin(filename, full_bw)

		bins = kwargs.pop('bins', 41)
		histtype = kwargs.pop('histtype', 'step')
		q = d[:,18:21]
		w = d[:,11] + d[:,13]

		plt.hist(q[:,0], weights=w, bins=bins, histtype=histtype, label=r'$q_x$', **kwargs)
		plt.hist(q[:,1], weights=w, bins=bins, histtype=histtype, label=r'$q_y$', **kwargs)
		plt.hist(q[:,2], weights=w, bins=bins, histtype=histtype, label=r'$q_z$', **kwargs)
		plt.legend()
		plt.grid(True, which='both')
		plt.xlabel(r'Q [$\AA$]')
		plt.ylabel('Intensity (arb)')

		def plot_qmap(filename, full_bw=False, **kwargs):
		"""plot q map, i.e. qA-vs-qB
		where A and B depend on maptype, see axes_mapping below

		a => \|q\|
		x => q(x) - horizontal (beam) direction
		y => q(y) - horizontal direction (perp. to x)
		z => q(z) - vertical direction

		"""
		axes_mapping = { 'a': 0, # abs value
		'x': 1,
		'y': 2,
		'z': 3,}

		d = _load_sqt_bin(filename, full_bw)

		bins = kwargs.pop('bins', 41)
		maptype = kwargs.pop('type', 'yx')

		w = d[:,11] + d[:,13]
		q0 = d[:,4]
		qv = d[:,18:21]
		#qp = np.sqrt(qv[:,1]2 + qv[:,2]2)
		q = np.hstack([q0[:,np.newaxis],qv])

		idx1 = axes_mapping.get(maptype[0],0)
		idx2 = axes_mapping.get(maptype[1],1)

		plt.hist2d(q[:,idx1], q[:,idx2], weights=w, bins=bins, **kwargs)
		plt.colorbar()

		plt.xlabel(r'Q$_%s$ [$\AA$]' % maptype[0])
		plt.ylabel(r'Q$_%s$ [$\AA$]' % maptype[1])
		plt.grid(True, which='both')

sources/drspine.f90

+18 −0

Original line number	Diff line number	Diff line
		@@ -2156,6 +2156,24 @@ CONTAINS
		extra_args = "npix="//trim(ctmp)//", "//trim(extra_args)
		write(ctmp,'(i0)') itau
		extra_args = "tau="//trim(ctmp)//","//trim(extra_args)
		else if ( found('qvec') ) then
		pyfunc='plot_qvec'
		filename = program_param%file_sqt_bin
		extra_args=' '
		if (found('nbins') ) then
		npix = get_named_value('nbins ', npix, inew)
		write(ctmp,'(i0)') npix
		extra_args = "bins="//trim(ctmp)//", "//trim(extra_args)
		endif
		else if ( found('qmap') ) then
		pyfunc='plot_qmap'
		filename = program_param%file_sqt_bin
		extra_args=' '
		if (found('nbins') ) then
		npix = get_named_value('nbins ', npix, inew)
		write(ctmp,'(i0)') npix
		extra_args = "bins="//trim(ctmp)//", "//trim(extra_args)
		endif
		else if ( found('q') ) then
		pyfunc='plot_q'
		filename = program_param%file_sqt_bin

sources/reduce_data.f90

+6 −2

Original line number	Diff line number	Diff line
		@@ -492,6 +492,7 @@ bgr_pixel_bin(l)
		write (iunit,'(a)', advance='no') ' DOWN(Q,T) '
		write (iunit,'(a)', advance='no') ' CHI2_RES CHI2_SIG '
		write (iunit,'(a)', advance='no') ' RUN '
		write (iunit,'(a)', advance='no') ' Q_VEC '
		write (iunit,*)
		end subroutine collect_sqt_raw_header

		@@ -539,7 +540,10 @@ bgr_pixel_bin(l)
		res_point%pixelbin(it, ix, iy)%chi_squared*res_point%pixelbin(it, ix, iy)%ndf
		write(iunit,'(g13.6,",")', advance='no') &
		sig_point%pixelbin(it, ix, iy)%chi_squared*sig_point%pixelbin(it, ix, iy)%ndf
		write(iunit,'(i8)', advance='yes') sig_data%id
		write(iunit,'(i8,",")', advance='no') sig_data%id
		write(iunit,'(g13.6,",")', advance='no') sig_point%pixelbin(it, ix, iy)%Q_vec(1)*ANGSTROEM
		write(iunit,'(g13.6,",")', advance='no') sig_point%pixelbin(it, ix, iy)%Q_vec(2)*ANGSTROEM
		write(iunit,'(g13.6 )', advance='yes') sig_point%pixelbin(it, ix, iy)%Q_vec(3)*ANGSTROEM
		end do
		end do
		end do