warning when empty collection (4a555b91) · Commits · Zolnierczuk, Piotr / DrSPINE

Makefile.version

+1 −1

Original line number	Diff line number	Diff line
		@@ -7,7 +7,7 @@ export PROJARCH=$(PROJECT)-$(VERSION_MAJOR).$(VERSION_MINOR)

		export VERSION_MAJOR=1
		export VERSION_MINOR=0
		export VERSION_RELEASE=2
		export VERSION_RELEASE=3

		git_rev=$(shell git rev-parse --short HEAD 2> /dev/null)
		ifeq "$(git_rev)" ""

sources/Makefile.depend

+2 −2

Original line number	Diff line number	Diff line
		# Makefile.depend Thu Oct 24 11:36:08 EDT 2019
		# Makefile.depend Wed Feb 19 15:36:03 EST 2020
		drspine_version.o : drspine_version.F90 drspine_parameters.o
		os_utils.o : os_utils.F90 strings_module.o drspine_parameters.o
		new_com.o : new_com.F90 os_utils.o

sources/data_types.f90

+39 −37

Original line number	Diff line number	Diff line
		@@ -438,6 +438,34 @@ module data_types
		real(kind=DBL) :: thickness !> thickness d
		integer :: numor_tra !> representative run number for the sample/bgr where it applies
		end type transmission_struct

		!!!>>mm1216 added private structure for display purposes
		!integer, parameter, private :: max_entries = 500000 !mm hier ggf besser vorhersage aud den andere paremetern (oder allocatable..)
		!integer, private :: itaus ( max_entries )
		!integer, private :: iqs ( max_entries )
		!real, private :: taus ( max_entries )
		!real, private :: qs ( max_entries )
		!real, private :: weights ( max_entries )
		!integer, private :: n_entries

		!! paz replaced the above with the following struct
		integer, parameter :: MAX_SQTINFO_ENTRIES = 512*1024
		type sqtinfo_item_struct
		integer :: itau
		integer :: iq
		real(kind=SGL) :: tau
		real(kind=SGL) :: q
		real(kind=SGL) :: weight
		end type sqtinfo_item_struct

		type sqtinfo_struct
		integer :: max_entries ! current array size
		integer :: n_entries ! number of "filled" elements
		type(sqtinfo_item_struct), allocatable :: items(:)
		end type sqtinfo_struct

		! type(sqtinfo_struct) :: sqtinfo

		!
		type collection
		type(collection_item), allocatable :: tq_bin(:,:)
		@@ -458,6 +486,7 @@ module data_types
		type(transmission_struct) :: sam_transmission !> transmission characteristics of sample
		type(transmission_struct) :: bgr_transmission !> transmission characteristics of bgr

		type(sqtinfo_struct) :: sqtinfo !> sqt info collected stats
		end type collection


		@@ -471,34 +500,6 @@ module data_types
		!!!



		!!!>>mm1216 added private structure for display purposes
		!integer, parameter, private :: max_entries = 500000 !mm hier ggf besser vorhersage aud den andere paremetern (oder allocatable..)
		!integer, private :: itaus ( max_entries )
		!integer, private :: iqs ( max_entries )
		!real, private :: taus ( max_entries )
		!real, private :: qs ( max_entries )
		!real, private :: weights ( max_entries )
		!integer, private :: n_entries

		!! paz replaced the above with the following struct
		integer, parameter :: MAX_SQTINFO_ENTRIES = 512*1024
		type sqtinfo_item_struct
		integer :: itau
		integer :: iq
		real(kind=SGL) :: tau
		real(kind=SGL) :: q
		real(kind=SGL) :: weight
		end type sqtinfo_item_struct

		type sqtinfo_struct
		integer :: max_entries ! current array size
		integer :: n_entries ! number of "filled" elements
		type(sqtinfo_item_struct), allocatable :: items(:)
		end type sqtinfo_struct

		type(sqtinfo_struct) :: sqtinfo

		! =========================================================================================
		interface trap_div
		module procedure trap_div_dbl
		@@ -957,7 +958,7 @@ CONTAINS

		!! tau..., q... ??
		!!!>>mm1216 added private structure for display purposes
		call init_sqtinfo(sqtinfo)
		call init_sqtinfo(this%sqtinfo)
		!!!<<mm1216 added private structure for display purposes

		end subroutine init_collection_from_bins
		@@ -1179,7 +1180,7 @@ CONTAINS
		sqt%tq_bin(it, iq)%update_counter = sqt%tq_bin(it, iq)%update_counter + 1

		!!!>> mm1216 >>
		call add_to_sqtinfo(sqtinfo, iq, it, qabs, tau, delta2)
		call add_to_sqtinfo(sqt%sqtinfo, iq, it, qabs, tau, delta2)
		!!?? proper weight must still be considered !!
		!!!<< mm1216 <<

		@@ -1833,9 +1834,10 @@ dotau: do it=it1,it2

		!!!>>mm1216 very experimental tau histogramming --> auto tau histo

		subroutine tau_histogramming(edges, mxedges, nedges, xcatch, linear)
		subroutine tau_histogramming(coll_data, edges, mxedges, nedges, xcatch, linear)
		! --------------------------------------------------------------------
		!implicit none
		type(collection), intent(in) :: coll_data
		integer , intent(in) :: mxedges ! max dim of edges
		double precision, intent(out) :: edges(mxedges) ! yields the edges
		integer , intent(out) :: nedges ! and the number of edges
		@@ -1858,29 +1860,29 @@ dotau: do it=it1,it2
		edges(1:mxedges) = 0
		nedges = 0

		if(sqtinfo%n_entries <= 0) then
		if(coll_data%sqtinfo%n_entries <= 0) then
		call msg_error('tau_histogramming', 'run collect prior to iterate histogramming!', ERROR_DATA_PROCESSING)
		return
		endif

		!! fill histogramm

		d1: do i = 1,sqtinfo%n_entries
		d1: do i = 1,coll_data%sqtinfo%n_entries

		if1: if(linear) then
		!ith = nint( hsize * abs(taus(i)/NS)/taumax )
		ith = nint( hsize * abs(sqtinfo%items(i)%tau/NS)/taumax )
		ith = nint( hsize * abs(coll_data%sqtinfo%items(i)%tau/NS)/taumax )
		ith = min ( ith , hsize+1 )
		else ! assume log scale
		!ith = nint( hsize * ( log(abs(taus(i)/NS)/taumin) / log(taumax/taumin) ) )
		ith = nint( hsize * ( log(abs(sqtinfo%items(i)%tau/NS)/taumin) / log(taumax/taumin) ) )
		ith = nint( hsize * ( log(abs(coll_data%sqtinfo%items(i)%tau/NS)/taumin) / log(taumax/taumin) ) )
		ith = min ( max(0, ith), hsize+1)
		endif if1

		!histo (ith) = histo(ith) + weights(i)
		!xhisto(ith) = xhisto(ith) + taus(i)/NS * weights(i)
		histo (ith) = histo(ith) + sqtinfo%items(i)%weight
		xhisto(ith) = xhisto(ith) + sqtinfo%items(i)%tau/NS * sqtinfo%items(i)%weight
		histo (ith) = histo(ith) + coll_data%sqtinfo%items(i)%weight
		xhisto(ith) = xhisto(ith) + coll_data%sqtinfo%items(i)%tau/NS * coll_data%sqtinfo%items(i)%weight

		enddo d1

sources/drspine.f90

+2 −1

Original line number	Diff line number	Diff line
		@@ -1176,7 +1176,7 @@ CONTAINS
		call msg_debug('cmd_histo','histo: entering tau histogramming '//&
		trim(msg_fmt("('xcatch=',g12.6)", xcatch ))//' '//&
		trim(msg_fmt("('maxbins=',i0)" , maxbins)))
		call tau_histogramming(xedges, maxbins, nbins, xcatch, .not. log_scale)
		call tau_histogramming(collected_data, xedges, maxbins, nbins, xcatch, .not. log_scale)
		if (nbins<=0 .or. maxbins<nbins) return ! paz avoid empty histos
		call create_bin_struct(xbins, xedges(1:nbins))
		call msg_debug('cmd_histo', 'histo: tau(iterated): '//trim(cformat_bin_struct(xbins)))
		@@ -1921,6 +1921,7 @@ CONTAINS
		call msg_info('drspine', '===> sqtmap done, figure is: sqtmap.pdf')
		!!!<< mm1216

		call collect_stats(collected_data)
		call unused( 1, 1, 1, ier)

		end subroutine cmd_collect

sources/plot_utils.f90

+5 −5

Original line number	Diff line number	Diff line
		@@ -101,7 +101,7 @@ contains
		call gr_axes(0.25D0, 10d0**nint(log10(ymax)) /5, xmin, ymin, 1, 1, 0.01D0)

		!wmax = maxval(weights(1:n_entries))
		wmax = maxval(sqtinfo%items(1:sqtinfo%n_entries)%weight)
		wmax = maxval(coll_data%sqtinfo%items(1:coll_data%sqtinfo%n_entries)%weight)

		if(Qcatch > 0d0 ) then
		dtrqs0: do iq =1, cdout%q_bin%nbins
		@@ -148,8 +148,8 @@ contains



		entries: do i = 1, sqtinfo%n_entries
		sqtitem = sqtinfo%items(i)
		entries: do i = 1, coll_data%sqtinfo%n_entries
		sqtitem = coll_data%sqtinfo%items(i)
		it = sqtitem%itau
		iq = sqtitem%iq
		tau = real(sqtitem%tau / NS, kind=SGL)
		@@ -167,8 +167,8 @@ contains
		endif

		!wmax = maxval(weights(1:n_entries), MASK=(iqs(1:n_entries)==iq))
		wmax = maxval(sqtinfo%items(1:sqtinfo%n_entries)%weight,&
		MASK=(sqtinfo%items(1:sqtinfo%n_entries)%iq==iq))
		wmax = maxval(coll_data%sqtinfo%items(1:coll_data%sqtinfo%n_entries)%weight,&
		MASK=(coll_data%sqtinfo%items(1:coll_data%sqtinfo%n_entries)%iq==iq))

		call gr_setlinewidth( sqrt( sqtitem%weight / wmax ) )
		call gr_setmarkersize( sqrt( sqtitem%weight / wmax ) )