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c2xye.f90
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module specfiles
integer(kind=4) :: iunit,iscan,ispecerr,ncolumns
integer(kind=4),parameter :: LINELENGTH=512, WORDLENGTH=100
integer(kind=4),parameter :: NWORDS=60, NLINES=50
integer(kind=4),dimension(NLINES) :: headerwords
real(kind=8) :: scanstart, scanend
real(kind=8),dimension(NWORDS,NLINES) :: wordvalues
real(kind=8),dimension(NWORDS) :: Q
character(len=6) :: lnfmt
character(len=LINELENGTH) :: filnam, line
character(len=LINELENGTH) :: specsfilename, specsdate
character(len=WORDLENGTH) :: scantype
character(len=WORDLENGTH),dimension(NWORDS,NLINES) :: words
character(len=WORDLENGTH),dimension(NWORDS) :: columnlabels
integer(kind=4) :: i0, i9, id, isp, im
character(len=WORDLENGTH) :: FIRSTDET,LASTDET,TWOTTH
character(len=WORDLENGTH) :: MONITORCOL="Monitor"
logical topofscan
data lnfmt /'(a512)'/
data iunit /15/
contains
subroutine getfile
logical :: od
! See if there is already a file open, if there is then close it
inquire(unit=iunit,opened=od)
if(od)close(iunit)
! filnam must already be filled in, or we'll try to open garbage
1 open(unit=iunit,file=filnam,form='formatted', &
& access='sequential', status='old',iostat=ispecerr)
if(ispecerr.ne.0) then
write(*,'(3a,i6)')'Problem with file ',filnam(1:len_trim(filnam)),&
& ' iostat=',ispecerr
write(*,'(a)')'Please supply a valid SPEC file name'
read(*,lnfmt)filnam
goto 1
endif
topofscan=.false.
! Supply defaults in case dumb specfile has no #L
ncolumns=14 ; columnlabels(1)='2_theta'; columnlabels(2)='Epoch'
columnlabels(3)='Seconds'; columnlabels(4)='MA0'
columnlabels(5)='MA1'; columnlabels(6)='MA2'
columnlabels(7)='MA3'; columnlabels(8)='MA4'
columnlabels(9)='MA5'; columnlabels(10)='MA6'
columnlabels(11)='MA7'; columnlabels(12)='MA8'
columnlabels(13)='Monitor'; columnlabels(14)='Fluo det'
i0=ichar('0');i9=ichar('9')
id=ichar('.');isp=ichar(' ');im=ichar('-')
return
end subroutine getfile
subroutine findscan(n)
integer(kind=4),intent(in)::n
character(len=7) :: rd ! enough space for yes, no and unknown
inquire(unit=iunit,read=rd) ! Can we read the file?
if(rd(1:3).ne.'YES') call getfile ! If not go open it
if(iscan.eq.n .and. topofscan) return
if(iscan.gt.n) rewind(n) !
2 call readheader ! in case top of file
if(iscan.ne.n)then ! work through file to find #
1 read(iunit,lnfmt,err=10,end=10)line
if(line(1:1).eq.'#') goto 2
go to 1
else
! Scan found - check scantype elsewhere - not a job for specfile module
return
endif
10 write(*,*)
write(*,'(a,i5,a)')'Scan ',n,' not found in file '// &
& filnam(1:len_trim(filnam))
ispecerr=-2
return
end subroutine findscan
subroutine getdata(a,n)
! A is an array, dimensioned by the number of data items to be expected
integer(kind=4),intent(in) :: n
real(kind=8),dimension(n),intent(out) :: a
integer(kind=4), parameter :: one = 1
if(topofscan)then; topofscan=.false. ; else
read(iunit,lnfmt,err=10,end=10)line ! goes via line
topofscan=.false.
endif
call rdnums(one,n,a) ! reads from line
if(line(1:1).eq.'#')then; ispecerr=-1 ;goto 100 ; endif
go to 100
10 ispecerr=-1 ! End of file
100 return ; end subroutine getdata
subroutine readheader
character(len=1) :: letter
character(len=128) :: motor
integer(kind=4) :: i,j
real(kind=8) :: a
integer(kind=4),parameter :: four=4
if(line(1:1).eq.'#') goto 2 ! if already on header, don't skip
1 read(iunit,lnfmt,end=100)line
2 if(line(1:1).eq.'#') then; letter=line(2:2); topofscan=.true.
select case((letter))
case('O')
read(line(3:3),'(i1)')i
call split(line(4:LINELENGTH),words(:,i+1),WORDLENGTH,NWORDS,j)
headerwords(i+1)=j
case('P')
read(line(3:3),'(i1)')i
call rdnums(four,NWORDS,wordvalues(:,i+1))
case('Q')
! Copy the Q from the header into our specfile module
read(line(3:LINELENGTH),*,end=1, err=1) Q
case('N')
read(line(3:len_trim(line)),*,end=1)ncolumns
case('L') ! signals end of header, bug out here !
call split(line(3:LINELENGTH),columnlabels,WORDLENGTH,NWORDS,i)
if(ncolumns.ne.i) &
& write(*,'(a,i5)')'error reading header for scan',iscan
case('S')
read(line(3:len_trim(line)),*,end=1)iscan,scantype,motor, &
& scanstart, scanend
case('F')
specsfilename=line(3:len_trim(line)) ! get original filename
case('D')
read(line(3:len_trim(line)),'(a256)',end=1)specsdate
case('C'); continue ! comments
case('G'); continue ! no idea - always zero
case('E'); continue ! epoch - we don't care what it was for now.
case default
end select
else ! Not a # line, so assume end of header
read(line,*,err=1,end=1)a ! catch blank lines in header
topofscan=.true. !!! Must be able to read a number !
return !!! escapes from routine here !!!!!
endif
goto 1
100 ispecerr=-1; return; end subroutine readheader
real(kind=8) function getheadervalue(string)
character(len=*),intent(in) :: string
integer(kind=4) :: i, j, k
k=len(string); getheadervalue=0.0
do i=1,NWORDS; do j=1,NLINES
if(string(1:k).eq.words(i,j)(1:k))then
getheadervalue=wordvalues(i,j); return
endif
enddo; enddo
return; end function getheadervalue
integer(kind=4) function whichcolumn(string)
! Interprets the #L line information
character(len=*),intent(in) :: string
integer(kind=4) :: i, j
j=len(string) ; whichcolumn=-1
do i=1,NWORDS
if(string(1:j).eq.columnlabels(i)(1:j))then
whichcolumn=i ; return
endif
enddo
return; end function whichcolumn
subroutine rdnums(ic,n,values)
! Placed here in a subroutine in case of formatting or error handling problems
integer(kind=4),intent(in) :: n, ic
real(kind=8),dimension(n),intent(inout) :: values
if(line(ic:ic).eq.'#')then; ispecerr=-1; return; endif
read(line(ic:len_trim(line)),*,err=10,end=20)values(1:ncolumns)
goto 100
10 write(*,*)'Error reading line, looking for ',ncolumns,' values'
write(*,*)line(ic:len_trim(line))
write(*,*)values
20 continue
100 return
end subroutine rdnums
subroutine split(instring,outstrings,lenout,n,i)
integer(kind=4),intent(in) :: lenout,n
character(len=*),intent(in) :: instring
character(len=lenout),dimension(n),intent(out) :: outstrings
integer(kind=4),intent(out) :: i
integer(kind=4) :: j,k,l
j=1; k=1
do i=1,len_trim(instring) ! hope len > len_trim or array overstep
if(instring(i:i+1).ne.' ')then
outstrings(j)(k:k)=instring(i:i)
if(k.ne.1 .and. k.lt.lenout) k=k+1
if(instring(i:i).ne.' '.and.k.eq.1)k=k+1
else
if(k.gt.1)then ; do l=k,lenout
outstrings(j)(l:l)=' ' ! blank pad end of string
enddo ; j=j+1; k=1; if(j.gt.n)exit ; endif
endif
enddo
! Blank pad last string if necessary
if(k.gt.1)then
do l=k,lenout;outstrings(j)(l:l)=' ';enddo
endif
i=j; return; end subroutine split
end module specfiles
program c2xye
use specfiles
integer(kind=4) :: i,j
integer(kind=4) :: nscan, ncol
character(LEN=WORDLENGTH) :: label
real(kind=8),allocatable :: data(:), prevdata(:)
real :: time1, time2
call getarg(1,filnam)
call getfile
call getarg(2,line)
read(line,*,err=10,end=10)nscan
call findscan(nscan)
call getarg(3,label)
read(label,*,err=11,end=11)ncol
goto 20
! allow labels as well as numbers for column headings
11 ncol=whichcolumn(label(1:len_trim(label)))
if(ncol.lt.1)then
write(0,'(a,a)')'Couldn''t find column labelled ', &
& label(1:len_trim(label))
write(0,'(a,i5)')'Number of columns = ', ncolumns
do j=1,ncolumns
write(0,'(i5,1x,a)')j,columnlabels(j)
enddo
goto 10
endif
goto 20
10 write(0,*)'Probs with command line'
goto 100
20 continue
if(.not.allocated(data))allocate(data(ncolumns))
if(.not.allocated(prevdata))allocate(prevdata(ncolumns))
write(*,'(a)')'$ DATA=CURVE2D'
write(*,'(a)')'% linetype=0 markertype=2'
write(*,'(3a)') '% xlabel="',columnlabels(1),'"'
write(*,'(3a)') '% ylabel="',columnlabels(ncol),'"'
write(*,'(a)') '% title="A fit"'
1 prevdata=data ! Start of loop through reading data
call getdata(data,ncolumns)
if(ispecerr.eq.0)then
write(*,*)data(1),data(ncol),sqrt(data(ncol)+1.) ! default weight
goto 1
endif
deallocate(data); deallocate(prevdata)
call cpu_time(time2)
100 end program c2xye