File: alfa.f90

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alfa 2.1-1
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program alfa
!ALFA, the Automated Line Fitting Algorithm
!Copyright (C) 2013- Roger Wesson

!This program is free software: you can redistribute it and/or modify
!it under the terms of the GNU General Public License as published by
!the Free Software Foundation, either version 3 of the License, or
!(at your option) any later version.

!This program is distributed in the hope that it will be useful,
!but WITHOUT ANY WARRANTY; without even the implied warranty of
!MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
!GNU General Public License for more details.

!You should have received a copy of the GNU General Public License
!along with this program.  If not, see <http://www.gnu.org/licenses/>.

use mod_readfiles
use mod_functions
use mod_types
use mod_continuum
use mod_fit
use mod_uncertainties
use mod_commandline
use mod_globals
use mod_output

! openmp variables
implicit none
integer :: omp_get_thread_num, omp_get_num_threads

! variables written to within parallel block cannot be global

character(len=512) :: outputbasename
type(linelist), dimension(:), allocatable :: fittedlines, fittedlines_section, skylines, skylines_section
type(spectrum), dimension(:), allocatable :: realspec, fittedspectrum, spectrumchunk, skyspectrum, continuum, stronglines, originalcopy
real :: redshiftguess, redshiftguess_initial, redshiftguess_overall ! redshiftguess_initial is the user-specified value, used in the initial fit which determines redshiftguess_overall.  that is then used in the chunks to find redshift
real :: resolutionguess, resolutionguess_initial ! resolutionguess_initial is the user-specified value, used in the initial fit to determine resolutionguess.
integer :: linearraypos,totallines, startpos, endpos, nlines
real :: normalisation, hbetaflux
integer :: threadnumber

c=299792.458 !km/s
!default values in absence of user specificed guess
redshiftguess=0.0 !km/s
redshiftguess_initial=0.0
resolutionguess=0.0 !lambda/deltalambda, determined assuming nyquist sampling if not specified
resolutionguess_initial=0.0
rtol1=0.d0 !variation allowed in resolution on first pass.  determined later, either from user input, or to be equal to resolution guess.
rtol2=500. !second pass
vtol1=0.0006 !variation allowed in velocity (expressed as redshift) on first pass. 0.0006 = 180 km/s
vtol2=0.0002 !second pass. 0.0002 = 60 km/s
baddata=0.d0
bdcount=0
wavelengthscaling=1.d0
detectionlimit=3.0
rebinfactor=1
continuumwindow=101

tablewavelengthcolumn=1
tablefluxcolumn=2

outputformat="fits"

stronglinelistfile=trim(PREFIX)//"/share/alfa/optical_strong.cat"
deeplinelistfile=trim(PREFIX)//"/share/alfa/optical_deep.cat"
skylinelistfile=trim(PREFIX)//"/share/alfa/sky_deep.cat"

outputdirectory="./"
imagesection=""

collapse=.false.
messages=.false.
clobber=.false.

popsize=30
pressure=0.3 !pressure * popsize needs to be an integer
generations=500

! start

print *,"ALFA, the Automated Line Fitting Algorithm"
print *,"version ",VERSION

print *
print *,gettime(),"starting code"

! random seed

call initialize()

! read command line. no variables to pass except the two which are not global

call readcommandline(redshiftguess_initial,resolutionguess_initial,normalisation)

! convert from velocity to redshift

redshiftguess_initial=1.+(redshiftguess_initial/c)

! read in spectrum to fit and line list

print *
print *,gettime(),"reading in file ",trim(spectrumfile),":"

!call subroutine to read in the data.  input is filename, output is 3D array containing data, length of dimensions dependent on whether file was 1D, 2D or 3D.

call readdata()

minimumwavelength = wavelengths(1)
maximumwavelength = wavelengths(size(wavelengths))
spectrumlength = size(wavelengths)

! collapse data to 1D if requested
! apply baddata to sum only pixels with good data in
i=0 ! to count the number of pixels summed

if (collapse) then
  if (allocated(spectrum_2d)) then

    print *,gettime(),"summing rows in 2D spectrum"
    allocate(spectrum_1d(spectrumlength))
    spectrum_1d = 0.d0

    do rss_i = 1,axes(2)
      if (maxval(spectrum_2d(:,rss_i)).gt. baddata) then
        spectrum_1d = spectrum_1d + spectrum_2d(:,rss_i)
        i=i+1
      else
        bdcount=bdcount+1
      endif
    enddo

    print *,gettime(),"co-added ",i," of ",axes(2)," rows"
    if (bdcount .gt. 0) print *,gettime(),"omitted ",bdcount," rows where peak flux was less than baddata value of ",baddata
    print *

    deallocate(spectrum_2d)

  elseif (allocated(spectrum_3d)) then

    print *,gettime(),"summing pixels in 3D spectrum"
    allocate(spectrum_1d(spectrumlength))
    spectrum_1d = 0.d0

    do cube_i = 1,axes(1)
      do cube_j = 1,axes(2)
        if (maxval(spectrum_3d(cube_i,cube_j,:)) .gt. baddata) then
          spectrum_1d = spectrum_1d + spectrum_3d(cube_i,cube_j,:)
          i=i+1
        else
          bdcount=bdcount+1
        endif
      enddo
    enddo

    print *,gettime(),"co-added ",i," of ",axes(1)*axes(2)," pixels"
    if (bdcount .gt. 0) print *,gettime(),"omitted ",bdcount," rows where peak flux was less than baddata value of ",baddata
    print *

    deallocate(spectrum_3d)

  endif
endif

!now we have all the flux values in an array and can fit the spectra

!rebin 1d spectra here

if (rebinfactor .gt. 1) then
  if (allocated(spectrum_1d)) then
    call rebinarray(wavelengths,rebinfactor)
    call rebinarray(spectrum_1d,rebinfactor)
    spectrumlength=size(wavelengths)
  endif
endif

!read in the line catalogues

print *,gettime(),"reading in line catalogues"
call readlinelist(skylinelistfile, skylines_catalogue)
call readlinelist(stronglinelistfile, stronglines_catalogue)
call readlinelist(deeplinelistfile, deeplines_catalogue)

if (allocated(spectrum_1d)) then !1d spectrum

  allocate(realspec(size(wavelengths)))
  allocate(fittedspectrum(spectrumlength))

  realspec%wavelength = wavelengths
  realspec%flux = spectrum_1d
  realspec%uncertainty = 0.d0
  redshiftguess=redshiftguess_initial
  resolutionguess=resolutionguess_initial

  fittedspectrum%wavelength=realspec%wavelength
  fittedspectrum%flux=0.d0

  if (maxval(realspec%flux) .lt. baddata) then
    print *,gettime(),"no good data in spectrum (all fluxes are less than ",baddata,")"
    call exit(200)
    stop
  endif
  messages=.true.

  threadnumber=0
  write (outputbasename,"(A)") spectrumfile(index(spectrumfile,"/",back=.true.)+1:len(trim(spectrumfile)))

  if (.not.clobber) then
    if (outputformat.eq."fits ") then
      inquire(file=trim(outputdirectory)//trim(outputbasename)//"_fit.fits", exist=file_exists)
    elseif (outputformat.eq."text ") then
      inquire(file=trim(outputdirectory)//trim(outputbasename)//"_lines", exist=file_exists)
    elseif (outputformat.eq."csv  ") then
      inquire(file=trim(outputdirectory)//trim(outputbasename)//"_lines.csv", exist=file_exists)
    elseif (outputformat.eq."latex") then
      inquire(file=trim(outputdirectory)//trim(outputbasename)//"_lines.latex", exist=file_exists)
    endif
    if (file_exists) then
      print *,gettime(),"spectrum already fitted: use --clobber to overwrite previous output"
      stop
    endif
  endif

#include "spectralfit.f90"

elseif (allocated(spectrum_2d)) then !fit 2D data

  write (filenameformat,"(A,I1,A,I1)") "I",floor(log10(real(axes(2))))+1,".",floor(log10(real(axes(2))))+1

!$OMP PARALLEL private(outputbasename,realspec,fittedspectrum,spectrumlength,continuum,nlines,spectrumchunk,linearraypos,overlap,startpos,startwlen,endpos,endwlen,skylines,skylines_section,stronglines,fittedlines,fittedlines_section,blendpeak,hbetaflux,totallines,skyspectrum,redshiftguess_overall,rss_i,threadnumber,redshiftguess,resolutionguess,file_exists,writeb1,writeb2,writep1,writep2,normalisation) shared(skylines_catalogue,stronglines_catalogue,deeplines_catalogue,axes,spectrumfile,redshiftguess_initial,resolutionguess_initial,outputdirectory)
!$OMP MASTER
  if (omp_get_num_threads().gt.1) then
    print "(X,A9,X,A,I2,A)",gettime(),"using ",omp_get_num_threads()," processors"
  endif
!$OMP END MASTER

!$OMP DO schedule(dynamic)
  do rss_i=1,axes(2) ! wavelength is on axis 1, row position is on axis 2, so this loops over rows

    threadnumber=OMP_GET_THREAD_NUM()

    write (outputbasename,"(A,"//filenameformat(1)//")") spectrumfile(index(spectrumfile,"/",back=.true.)+1:len(trim(spectrumfile)))//"_row_",rss_i

    allocate(realspec(axes(1)))
    spectrumlength=axes(1)
    realspec%wavelength = wavelengths
    realspec%flux=spectrum_2d(:,rss_i)

    if (rebinfactor>1) then
      call rebinspectrum(realspec,rebinfactor)
      spectrumlength=size(realspec)
    endif

    redshiftguess=redshiftguess_initial
    resolutionguess=resolutionguess_initial

!check for valid data
!ultra crude at the moment

    if (outputformat.eq."fits ") then
      inquire(file=trim(outputdirectory)//trim(outputbasename)//"_fit.fits", exist=file_exists)
    elseif (outputformat.eq."text ") then
      inquire(file=trim(outputdirectory)//trim(outputbasename)//"_lines", exist=file_exists)
    elseif (outputformat.eq."csv  ") then
      inquire(file=trim(outputdirectory)//trim(outputbasename)//"_lines.csv", exist=file_exists)
    elseif (outputformat.eq."latex") then
      inquire(file=trim(outputdirectory)//trim(outputbasename)//"_lines.latex", exist=file_exists)
    endif

    if (maxval(realspec%flux) .lt. baddata) then
      print "(X,A,A,I2,A,"//filenameformat(1)//",A,ES10.2)",gettime(),"(thread ",threadnumber,") : skipped row  ",rss_i,": all values below ",baddata
      deallocate(realspec)
      cycle
    elseif (file_exists .and. .not. clobber) then
      print "(X,A,A,I2,A,"//filenameformat(1)//",A)",gettime(),"(thread ",threadnumber,") : skipped row  ",rss_i,": already fitted"
      deallocate(realspec)
      cycle
    endif

    print *,gettime(),"fitting row ",rss_i

    allocate (fittedspectrum(spectrumlength))
    fittedspectrum%wavelength=realspec%wavelength
    fittedspectrum%flux=0.d0

!now do the fitting

#include "spectralfit.f90"

!deallocate arrays ready for the next pixel
    deallocate(realspec)
    deallocate(fittedspectrum)
    deallocate(continuum)
    if (allocated(skyspectrum)) deallocate(skyspectrum)

    print "(X,A,A,I2,A,"//filenameformat(1)//",A,F6.1,A,F6.0)",gettime(),"(thread ",threadnumber,") : finished row ",rss_i,". approx velocity and resolution ",c*(redshiftguess_overall-1.d0),", ",fittedlines(1)%resolution

  enddo

!$OMP END DO
!$OMP END PARALLEL

  print *,gettime(),"all processing finished"

  deallocate(spectrum_2d)

elseif (allocated(spectrum_3d)) then !fit 3D data

  print *,gettime(),"processing cube"
!$OMP PARALLEL private(outputbasename,realspec,fittedspectrum,spectrumlength,continuum,nlines,spectrumchunk,linearraypos,overlap,startpos,startwlen,endpos,endwlen,skylines,skylines_section,stronglines,fittedlines,fittedlines_section,blendpeak,hbetaflux,totallines,skyspectrum,redshiftguess_overall,cube_i,cube_j,threadnumber,redshiftguess,resolutionguess,file_exists,writeb1,writeb2,writep1,writep2,normalisation) shared(skylines_catalogue,stronglines_catalogue,deeplines_catalogue,axes,spectrumfile,redshiftguess_initial,resolutionguess_initial,outputdirectory)

!$OMP MASTER
  if (omp_get_num_threads().gt.1) then
    print "(X,A9,X,A,I2,A)",gettime(),"using ",omp_get_num_threads()," processors"
  endif
!$OMP END MASTER

  write (filenameformat(1),"(A,I1,A,I1)") "I",floor(log10(real(axes(1))))+1,".",floor(log10(real(axes(1))))+1
  write (filenameformat(2),"(A,I1,A,I1)") "I",floor(log10(real(axes(2))))+1,".",floor(log10(real(axes(2))))+1

!$OMP DO schedule(dynamic)
  do cube_i=1,axes(1)
    do cube_j=1,axes(2)

      threadnumber=OMP_GET_THREAD_NUM()

      write (outputbasename,"(A,"//filenameformat(1)//",A1,"//filenameformat(2)//")") spectrumfile(index(spectrumfile,"/",back=.true.)+1:len(trim(spectrumfile)))//"_pixel_",cube_i,"_",cube_j
      allocate(realspec(axes(3)))
      spectrumlength=axes(3)
      realspec%flux=spectrum_3d(cube_i,cube_j,:)
      realspec%wavelength=wavelengths

      if (rebinfactor>1) then
        call rebinspectrum(realspec,rebinfactor)
        spectrumlength=size(realspec)
      endif

      redshiftguess=redshiftguess_initial
      resolutionguess=resolutionguess_initial

!check for valid data
!ultra crude at the moment

      if (outputformat.eq."fits ") then
        inquire(file=trim(outputdirectory)//trim(outputbasename)//"_fit.fits", exist=file_exists)
      elseif (outputformat.eq."text ") then
        inquire(file=trim(outputdirectory)//trim(outputbasename)//"_lines", exist=file_exists)
      elseif (outputformat.eq."csv  ") then
        inquire(file=trim(outputdirectory)//trim(outputbasename)//"_lines.csv", exist=file_exists)
      elseif (outputformat.eq."latex") then
        inquire(file=trim(outputdirectory)//trim(outputbasename)//"_lines.latex", exist=file_exists)
      endif

      if (maxval(realspec%flux) .lt. baddata) then
        print "(X,A,A,I2,A,"//filenameformat(1)//",A,"//filenameformat(2)//",A,ES10.2)",gettime(),"(thread ",threadnumber,") : skipped pixel  ",cube_i,",",cube_j,": all values below ",baddata
        deallocate(realspec)
        cycle
      elseif (file_exists .and. .not. clobber) then
        print "(X,A,A,I2,A,"//filenameformat(1)//",A,"//filenameformat(2)//",A)",gettime(),"(thread ",threadnumber,") : skipped pixel  ",cube_i,",",cube_j,": already fitted"
        deallocate(realspec)
        cycle
      endif

      allocate (fittedspectrum(spectrumlength))
      fittedspectrum%wavelength=realspec%wavelength
      fittedspectrum%flux=0.d0

!now do the fitting

#include "spectralfit.f90"

!deallocate arrays ready for the next pixel

      deallocate(realspec)
      deallocate(fittedspectrum)
      deallocate(continuum)
      if (allocated(skyspectrum)) deallocate(skyspectrum)

      print "(X,A,A,I2,A,"//filenameformat(1)//",A,"//filenameformat(2)//",A,F6.1,A,F5.0)",gettime(),"(thread ",threadnumber,") : finished pixel ",cube_i,",",cube_j,". approx velocity and resolution ",c*(redshiftguess_overall-1.d0),", ",fittedlines(1)%resolution

    enddo
  enddo

!$OMP END DO
!$OMP END PARALLEL

  print *,gettime(),"all processing finished"

  deallocate(spectrum_3d)

endif

!free memory

if (allocated(spectrum_2d)) deallocate(spectrum_2d)
if (allocated(spectrum_3d)) deallocate(spectrum_3d)
if (allocated(axes)) deallocate(axes)
if (allocated(wavelengths)) deallocate(wavelengths)
if (allocated(skylines_catalogue)) deallocate(skylines_catalogue)
if (allocated(stronglines_catalogue)) deallocate(stronglines_catalogue)
if (allocated(deeplines_catalogue)) deallocate(deeplines_catalogue)

print *,gettime(),"all done"
print *

end program alfa