!-----------------------------------------------------------------------------------------------------------------------------------
! This file is part of ReMKiT1D.
!
! ReMKiT1D 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.
!
! ReMKiT1D 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 ReMKiT1D. If not, see <https://www.gnu.org/licenses/>.
!
! Copyright 2023 United Kingdom Atomic Energy Authority (stefan.mijin@ukaea.uk)
!-----------------------------------------------------------------------------------------------------------------------------------
submodule (modelbound_CRM_data_class) modelbound_CRM_data_procedures
!! author: Stefan Mijin
!!
!! Contains module procedures associated with the modelbound CRM data
implicit none
!-----------------------------------------------------------------------------------------------------------------------------------
contains
!-----------------------------------------------------------------------------------------------------------------------------------
!-----------------------------------------------------------------------------------------------------------------------------------
pure module subroutine initCRMData(this,numTransitions)
!! Collisional-radiative modelbound data initialization
class(ModelboundCRMData) ,intent(inout) :: this
integer(ik) ,intent(in) :: numTransitions !! Expected number of transitions
call this%makeDefined()
allocate(this%transitions(numTransitions))
this%numAddedTransitions = 0
this%allTransitionsAdded = .false.
end subroutine initCRMData
!-----------------------------------------------------------------------------------------------------------------------------------
pure module subroutine addTransition(this,tr)
!! Add transition to CRM modelbound data
class(ModelboundCRMData) ,intent(inout) :: this
class(Transition) ,intent(in) :: tr
if (assertions .or. assertionLvl >= 0) then
call assertPure(this%isDefined(),"Attempted to add transition to undefined modelbound CRM data object")
call assertPure(tr%isDefined(),"Attempted to add undefined transition to modelbound CRM data object")
call assertPure(.not. this%allTransitionsAdded,"Attempted to add transition to modelbound CRM object when no free &
&transition slots available")
end if
this%numAddedTransitions = this%numAddedTransitions + 1
allocate(this%transitions(this%numAddedTransitions)%entry,source=tr)
if (this%numAddedTransitions == size(this%transitions)) this%allTransitionsAdded = .true.
end subroutine addTransition
!-----------------------------------------------------------------------------------------------------------------------------------
pure module subroutine setInelData(this,inelData)
!! Setter for inelData
class(ModelboundCRMData) ,intent(inout) :: this
type(InelasticGridData) ,intent(in) :: inelData
if (assertions) call assertPure(inelData%isDefined(),&
"Undefined inelastic data passed to setInelData on modelbound CRM data object")
allocate(this%inelData,source=inelData)
end subroutine setInelData
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getFixedW(this,ind) result(wMat)
!! Return fixed mapping matrix with given index if inelastic data component is allocated
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: ind
type(SparseRowData) :: wMat
if (assertions) then
call assertPure(this%isDefined(),"getFixedW called from undefined modelbound CRM data object")
call assertPure(allocated(this%inelData),&
"getFixedW called from modelbound CRM data object with no allocated inelastic data")
end if
wMat = this%inelData%getFixedW(ind)
end function getFixedW
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getFixedEmissionVector(this,ind) result(emit)
!! Return fixed emission vector for mapping matrix with given index if inelastic data component is allocated
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: ind
real(rk) ,allocatable ,dimension(:) :: emit
if (assertions) then
call assertPure(this%isDefined(),"getFixedEmissionVector called from undefined modelbound CRM data object")
call assertPure(allocated(this%inelData),&
"getFixedEmissionVector called from modelbound CRM data object with no allocated inelastic data")
end if
emit = this%inelData%getFixedEmissionVector(ind)
end function getFixedEmissionVector
!-----------------------------------------------------------------------------------------------------------------------------------
pure module subroutine interpolateW(this,E,wRes)
!! Interpolate mapping matrices for given energy and store in passed triangular matrix if inelastic data component is allocated.
!! Assumes upper triangular structure for wRes if E is positive and lower if it's negative.
class(ModelboundCRMData) ,intent(in) :: this
real(rk) ,intent(in) :: E !! Transition energy to interpolate for
type(SparseRowData) ,intent(inout) :: wRes !! Lower/upper triangular matrix to store the interpolated weights
if (assertions) then
call assertPure(this%isDefined(),"interpolateW called from undefined modelbound CRM data object")
call assertPure(allocated(this%inelData),&
"interpolateW called from modelbound CRM data object with no allocated inelastic data")
end if
call this%inelData%interpolateW(E,wRes)
end subroutine interpolateW
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getInterpolatedEmissionVector(this,E) result(emit)
!! Return interpolated emission vector for given input energy E if inelastic data component is allocated
class(ModelboundCRMData) ,intent(in) :: this
real(rk) ,intent(in) :: E
real(rk) ,allocatable ,dimension(:) :: emit
if (assertions) then
call assertPure(this%isDefined(),"getInterpolatedEmissionVector called from undefined modelbound CRM data object")
call assertPure(allocated(this%inelData),&
"getInterpolatedEmissionVector called from modelbound CRM data object with no allocated inelastic data")
end if
emit = this%inelData%getInterpolatedEmissionVector(E)
end function getInterpolatedEmissionVector
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getTransitionIngoingStates(this,ind) result(inStates)
!! Get ingoing states of transition with given index
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: ind
integer(ik) ,allocatable ,dimension(:) :: inStates
if (assertions) then
call assertPure(this%isDefined(),"getTransitionIngoingStates called on undefined modelbound CRM data object")
call assertPure(this%allTransitionsAdded,"getTransitionIngoingStates called on modelbound CRM data object before all &
&transitions have been added")
end if
inStates = this%transitions(ind)%entry%getIngoingStates()
end function getTransitionIngoingStates
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getTransitionOutgoingStates(this,ind) result(outStates)
!! Get outgoing states of transition with given index
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: ind
integer(ik) ,allocatable ,dimension(:) :: outStates
if (assertions) then
call assertPure(this%isDefined(),"getTransitionOutgoingStates called on undefined modelbound CRM data object")
call assertPure(this%allTransitionsAdded,"getTransitionOutgoingStates called on modelbound CRM data object before all &
&transitions have been added")
end if
outStates = this%transitions(ind)%entry%getOutgoingStates()
end function getTransitionOutgoingStates
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getTransitionRate(this,ind) result(rate)
!! Get transition rate from transition with given index
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: ind
real(rk) ,allocatable ,dimension(:) :: rate
if (assertions) then
call assertPure(this%isDefined(),"getTransitionRate called on undefined modelbound CRM data object")
call assertPure(this%allTransitionsAdded,"getTransitionRate called on modelbound CRM data object before all &
&transitions have been added")
end if
rate = this%transitions(ind)%entry%getRate()
end function getTransitionRate
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getTransitionRateMomentum(this,ind) result(rate)
!! Get momentum transfer rate from transition with given index
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: ind
real(rk) ,allocatable ,dimension(:) :: rate
if (assertions) then
call assertPure(this%isDefined(),"getTransitionRateMomentum called on undefined modelbound CRM data object")
call assertPure(this%allTransitionsAdded,"getTransitionRateMomentum called on modelbound CRM data object before all &
&transitions have been added")
end if
rate = this%transitions(ind)%entry%getRateMomentum()
end function getTransitionRateMomentum
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getTransitionRateEnergy(this,ind) result(rate)
!! Get energy transfer rate from transition with given index
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: ind
real(rk) ,allocatable ,dimension(:) :: rate
if (assertions) then
call assertPure(this%isDefined(),"getTransitionRateEnergy called on undefined modelbound CRM data object")
call assertPure(this%allTransitionsAdded,"getTransitionRateEnergy called on modelbound CRM data object before all &
&transitions have been added")
end if
rate = this%transitions(ind)%entry%getRateEnergy()
end function getTransitionRateEnergy
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getTransitionCrossSection(this,col,ind) result(crossSection)
!! Get cross-section values from column col of the cross-section data of transition with given index
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: col
integer(ik) ,intent(in) :: ind
real(rk) ,allocatable ,dimension(:) :: crossSection
if (assertions) then
call assertPure(this%isDefined(),"getTransitionCrossSection called on undefined modelbound CRM data object")
call assertPure(this%allTransitionsAdded,"getTransitionCrossSection called on modelbound CRM data object before all &
&transitions have been added")
end if
crossSection = this%transitions(ind)%entry%getCrossSectionCol(col)
end function getTransitionCrossSection
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getTransitionEnergy(this,ind) result(energy)
!! Get transition energy of transition with given index
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: ind
real(rk) ,allocatable ,dimension(:) :: energy
if (assertions) then
call assertPure(this%isDefined(),"getTransitionEnergy called on undefined modelbound CRM data object")
call assertPure(this%allTransitionsAdded,"getTransitionEnergy called on modelbound CRM data object before all &
&transitions have been added")
end if
energy = this%transitions(ind)%entry%getTransitionEnergy()
end function getTransitionEnergy
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getNumTransitions(this) result(numTrans)
!! Get number of transitions registered in this object
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) :: numTrans
if (assertions) call assertPure(this%isDefined(),"getNumTransitions called on undefined modelbound CRM data object")
numTrans = size(this%transitions)
end function getNumTransitions
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function ratesIncludeElDensity(this,ind) result(includesElDens)
!! Check whether given transition includes electron density in the rate by default
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: ind
logical :: includesElDens
if (assertions) call assertPure(this%isDefined(),"ratesIncludeElDensity called on undefined modelbound CRM data object")
includesElDens = this%transitions(ind)%entry%includesElDensity()
end function ratesIncludeElDensity
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getPopulationChangeMatrix(this,ids,transitionIndices) result(popChangeMat)
!! For a given set of species indices and transition indices returns a matrix whose entries are the change in particle number
!! of a given species (by index) in transition processes determined by passed indices. Will not provide warnings if any
!! particular ID is not found in any transition.
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,dimension(:) ,intent(in) :: ids
integer(ik) ,dimension(:) ,intent(in) :: transitionIndices
integer(ik) ,dimension(:,:) ,allocatable :: popChangeMat
integer(ik) :: i ,j
integer(ik) ,allocatable ,dimension(:) :: inStates ,outStates
if (assertions) then
call assertPure(this%isDefined(),"getPopulationChangeMatrix called on undefined modelbound CRM data object")
call assertPure(all(transitionIndices>0),"Out of bounds (lower) transition index detected in getPopulationChangeMatrix")
call assertPure(all(transitionIndices<=size(this%transitions)),&
"Out of bounds (upper) transition index detected in getPopulationChangeMatrix")
end if
allocate(popChangeMat(size(ids),size(transitionIndices)))
do i = 1,size(transitionIndices)
inStates = this%getTransitionIngoingStates(transitionIndices(i))
outStates = this%getTransitionOutgoingStates(transitionIndices(i))
do j = 1,size(ids)
popChangeMat(j,i) = count(outStates==ids(j)) - count(inStates==ids(j))
end do
end do
end function getPopulationChangeMatrix
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getRequiredDensityData(this,transitionIndex,removeLastState) result(densDataMat)
!! For a given transition index returns ingoingState data as a (:,2) matrix, where the first column is the list of participating
!! states and the second column the number of times that state appears. If an ID is zero (electrons) and the transition
!! includes electron density in the rate, the second column value is reduced by one. If removeLastState is true, the corresponding
!! number in the second column of the result is reduced by one (useful in implicit terms).
!! If any value in the second column drops to 0, the corresponding row will be removed.
!! The result can then be used to determine density variables and their powers required to convert the transitions rate values into a source.
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) ,intent(in) :: transitionIndex
logical(ik) ,optional ,intent(in) :: removeLastState
integer(ik) ,dimension(:,:) ,allocatable :: densDataMat
logical :: rmLastState
integer(ik) ,allocatable ,dimension(:) :: inStates ,uniqueStates ,stateCount
integer(ik) :: i ,k
if (assertions) then
call assertPure(this%isDefined(),"getRequiredDensityData called on undefined modelbound CRM data object")
call assertPure(transitionIndex>0,"Out of bounds (lower) transition index detected in getRequiredDensityData")
call assertPure(transitionIndex<=size(this%transitions),&
"Out of bounds (upper) transition index detected in getRequiredDensityData")
end if
rmLastState = .false.
if (present(removeLastState)) rmLastState = removeLastState
inStates = this%getTransitionIngoingStates(transitionIndex)
uniqueStates = removeDupeInts(inStates)
allocate(stateCount(size(uniqueStates)))
do i = 1,size(stateCount)
stateCount(i) = count(inStates==uniqueStates(i))
if (uniqueStates(i) == this%electronStateID .and. this%ratesIncludeElDensity(transitionIndex)) &
stateCount(i) = stateCount(i) - 1
end do
if (rmLastState) stateCount(size(stateCount)) = stateCount(size(stateCount)) - 1
allocate(densDataMat(count(stateCount>0),2))
k = 1
do i = 1,size(stateCount)
if (stateCount(i)>0) then
densDataMat(k,1) = uniqueStates(i)
densDataMat(k,2) = stateCount(i)
k = k + 1
end if
end do
end function getRequiredDensityData
!-----------------------------------------------------------------------------------------------------------------------------------
module subroutine updateCRMData(this,hostModel,inputVars,updatePriority)
!! Update modelbound data based on input variable container
class(ModelboundCRMData) ,intent(inout) :: this
class(ModelSurrogate) ,intent(in) :: hostModel !! Host model passed to transitions
class(VariableContainer) ,intent(in) :: inputVars !! Variable container used to calculate modelbound data
integer(ik) ,optional ,intent(in) :: updatePriority !! Priority for this update call
integer(ik) :: i
if (assertions) then
call assertPure(this%isDefined(),"updateCRMData called on undefined modelbound CRM data object")
call assertPure(this%allTransitionsAdded,"updateCRMData calledon modelbound CRM data object before all &
&transitions have been added")
call assertPure(inputVars%isDefined(),"Undefined inputVars passed to updateCRMData routine on modelbound CRM object")
end if
if (present(updatePriority)) then
do i = 1,size(this%transitions)
call this%transitions(i)%entry%update(inputVars,hostModel,this,updatePriority=updatePriority)
end do
else
do i = 1,size(this%transitions)
call this%transitions(i)%entry%update(inputVars,hostModel,this)
end do
end if
end subroutine updateCRMData
!-----------------------------------------------------------------------------------------------------------------------------------
module subroutine crmCopy(this,name,container)
!! Retrieves data based on name format - assumes name of format "rate"//dataSpec//"index"//transIndex, where dataSpec is 0,1,2
!! and corresponds to rate type (0-particles,1-momentum,2-energy), and transIndex is the transition index in the data or
!! "cssl//dataSpec//"index"//transIndex for the cross-section single harmonics where dataSpec is now the cross-section harmoinic index/column
class(ModelboundCRMData) ,intent(in) :: this
character(*) ,intent(in) :: name
real(rk) ,allocatable ,dimension(..) ,intent(inout) :: container
integer(ik) :: i ,dataSpec ,transIndex ,indexStart ,csDim ,rateSize
real(rk) ,allocatable ,dimension(:) :: csVals
character(4) :: dataPrefix
dataPrefix = name(1:4)
select rank(container)
rank (1)
if (dataPrefix == "rate") then
read(name(5:5),*) dataSpec
read(name(11:len(name)),*) transIndex
select case(dataSpec)
case (0)
if (.not. allocated(container)) then
allocate(container,source=this%getTransitionRate(transIndex))
else
if (ubound(container,1) /= ubound(this%getTransitionRate(transIndex),1) .or. &
lbound(container,1) /= lbound(this%getTransitionRate(transIndex),1)) then
deallocate(container)
allocate(container, source=this%getTransitionRate(transIndex))
else
container = this%getTransitionRate(transIndex)
end if
end if
case (1)
if (.not. allocated(container)) then
allocate(container,source=this%getTransitionRateMomentum(transIndex))
else
if (ubound(container,1) /= ubound(this%getTransitionRateMomentum(transIndex),1) .or. &
lbound(container,1) /= lbound(this%getTransitionRateMomentum(transIndex),1)) then
deallocate(container)
allocate(container, source=this%getTransitionRateMomentum(transIndex))
else
container = this%getTransitionRateMomentum(transIndex)
end if
end if
case (2)
if (.not. allocated(container)) then
allocate(container,source=this%getTransitionRateEnergy(transIndex))
else
if (ubound(container,1) /= ubound(this%getTransitionRateEnergy(transIndex),1) .or. &
lbound(container,1) /= lbound(this%getTransitionRateEnergy(transIndex),1)) then
deallocate(container)
allocate(container, source=this%getTransitionRateEnergy(transIndex))
else
container = this%getTransitionRateEnergy(transIndex)
end if
end if
case default
error stop "Unsupported dataSpec integer in crmCopy routine for rate case"
end select
else if (dataPrefix == "cssl") then
indexStart = index(name, "index")
call assert(indexStart>0,"unsupported data name in crmCopy routine - does not contain 'index' substring")
read(name(5:indexStart-1),*) dataSpec
read(name(indexStart+5:len(name)),*) transIndex
rateSize = this%transitions(transIndex)%entry%getRateSize()
csDim = this%transitions(transIndex)%entry%getCSDim()
select case (csDim)
case (1)
csVals = this%getTransitionCrossSection(dataSpec,transIndex)
if (.not. allocated(container)) then
allocate(container(size(csVals)*rateSize))
else
if (size(container) /= size(csVals)*rateSize) then
deallocate(container)
allocate(container(size(csVals)*rateSize))
end if
end if
do i = 1,rateSize
container((i-1)*size(csVals)+1:i*size(csVals)) = csVals
end do
case (2)
if (.not. allocated(container)) then
allocate(container,source=this%getTransitionCrossSection(dataSpec,transIndex))
else
if (ubound(container,1) /= ubound(this%getTransitionCrossSection(dataSpec,transIndex),1) .or. &
lbound(container,1) /= lbound(this%getTransitionCrossSection(dataSpec,transIndex),1)) then
deallocate(container)
allocate(container, source=this%getTransitionCrossSection(dataSpec,transIndex))
else
container = this%getTransitionCrossSection(dataSpec,transIndex)
end if
end if
case (-1)
error stop "crmCopy attempted to retrieve cross-section from transition without one"
case default
error stop "Unsupported dataSpec integer in crmCopy routine for cross-section case"
end select
else
error stop "Unsupported data prefix detected in crmCopy routine"
end if
rank default
error stop "container passed to crmCopy is not rank 1"
end select
end subroutine crmCopy
!-----------------------------------------------------------------------------------------------------------------------------------
module function getDataDimCRM(this,name) result(dim)
!! Get data dimensionality - currently always returns 1, assuming that the name is associated with a rate
class(ModelboundCRMData) ,intent(in) :: this
character(*) ,intent(in) :: name !! Name of data
integer(ik) :: dim
character(4) :: dataPrefix
dataPrefix = name(1:4)
select case (dataPrefix)
case ("rate")
dim = 1
case ("cssl")
dim = 2
case default
error stop "Unsupported data prefix detected in getDataDimCRM routine"
end select
end function getDataDimCRM
!-----------------------------------------------------------------------------------------------------------------------------------
pure module function getElState(this) result(ID)
!! Getter for electronStateID
class(ModelboundCRMData) ,intent(in) :: this
integer(ik) :: ID
if (assertions) call assertPure(this%isDefined(),"getElState called from undefined modelbound CRM data object")
ID = this%electronStateID
end function getElState
!-----------------------------------------------------------------------------------------------------------------------------------
module subroutine setElState(this,ID)
!! Setter for electronStateID
class(ModelboundCRMData) ,intent(inout) :: this
integer(ik) ,intent(in) :: ID
if (assertions) call assertPure(this%isDefined(),"setElState called from undefined modelbound CRM data object")
this%electronStateID = ID
end subroutine setElState
!-----------------------------------------------------------------------------------------------------------------------------------
end submodule modelbound_CRM_data_procedures
!-----------------------------------------------------------------------------------------------------------------------------------
