LCOV - code coverage report
Current view: top level - src/78_effpot - m_hashtable_strval.F90 (source / functions) Coverage Total Hit
Test: coverage.info Lines: 78.6 % 154 121
Test Date: 2026-09-19 15:24:51 Functions: 59.3 % 27 16

            Line data    Source code
       1              : !!****m* ABINIT/m_hastable
       2              : !! NAME
       3              : !! m_hashtable
       4              : !!
       5              : !! FUNCTION
       6              : !! This module provide a string: value pair hash table
       7              : !! COPYRIGHT
       8              : !! Taken from http://fortranwiki.org/fortran/show/hash+table+example
       9              : !! The code is originally written by Izaak Beekman under the LGPL license.
      10              : !! Adapted for usage in Abinit by hexu
      11              : !!
      12              : !! Note: the behavior is different from the origial version
      13              : !! The value will be overwritten in this version, whereas it is ignored in the
      14              : !! original version if the key is already in the table (why??!!).
      15              : !!
      16              : !! Note2:!!!!!!!!!!!!!!!!! FIXME
      17              : !! It does not handle white space at the end of string correctly. It does not affect
      18              : !! the usage in Multibinit but BE CAREFUL.
      19              : !!
      20              : !! Below is the original Copyright.
      21              : !!=======================================
      22              : !! Copyright (C) Izaak Beekman 2010
      23              : !! This program is free software: you can redistribute it and/or modify
      24              : !! it under the terms of the GNU Lesser General Public License as published by
      25              : !! the Free Software Foundation, either version 3 of the License, or
      26              : !! (at your option) any later version.
      27              : !!
      28              : !! This program is distributed in the hope that it will be useful,
      29              : !! but WITHOUT ANY WARRANTY; without even the implied warranty of
      30              : !! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
      31              : !! GNU Lesser General Public License for more details.
      32              : !! You should have received a copy of the GNU Lesser General Public License
      33              : !! along with this program.  If not, see <http://www.gnu.org/licenses/>.
      34              : !!
      35              : !! SOURCE
      36              : 
      37              : #if defined HAVE_CONFIG_H
      38              : #include "config.h"
      39              : #endif
      40              : 
      41              : #include "abi_common.h"
      42              : 
      43              : MODULE m_hashtable_strval
      44              : 
      45              : !!***
      46              :   use defs_basis
      47              :   use m_errors
      48              :   use m_abicore
      49              :   use, intrinsic :: iso_c_binding
      50              :   !use, intrinsic :: iso_c_binding, only: c_double, c_int64_t
      51              :   !USE, INTRINSIC :: IEEE_ARITHMETIC
      52              : 
      53              :   !use, intrinsic :: ieee_arithmetic, only: IEEE_Value, IEEE_QUIET_NAN
      54              :   !use, intrinsic :: iso_fortran_env, only: real64
      55              : 
      56              :   IMPLICIT NONE ! Use strong typing
      57              :   INTEGER, PARAMETER :: tbl_size = 50
      58              :   !real(real64) :: nan
      59              :   !nan = IEEE_VALUE(nan, IEEE_QUIET_NAN)
      60              :   ! The above one is more standard, but how to make nan a parameter?
      61              :   ! The following is used instead.
      62              :   !real(c_double), parameter :: NAN=IEEE_VALUE(nan, IEEE_QUIET_NAN)
      63              : 
      64              :   !real(c_double), parameter :: NAN = TRANSFER(9218868437227405313_c_int64_t, 1._c_double)
      65              :   ! NOTE: this is not NAN really. The correct one is the last line. But NAG compiler does not think it is a valid floating number.
      66              :   ! real(c_double), parameter :: NAN = TRANSFER(921886843722740531_c_int64_t, 1._c_double)
      67              : 
      68              :   ! NB: We have to use SIZEOF_INT CPP macro giving the size of `int', as computed by sizeof.
      69              :   !     to declare the length of char buffers as in:
      70              :   !
      71              :   !  character(len=SIZEOF_INT * n) :: tmp
      72              :   !
      73              :   ! as cray-intel ftn and NAG do not support declaratations like:
      74              :   !
      75              :   !character(len=c_sizeof(key)) :: tmp
      76              : 
      77              : 
      78              :   TYPE sllist
      79              :      TYPE(sllist), POINTER :: child => NULL()
      80              :      CHARACTER(len=:), ALLOCATABLE :: key
      81              :      real(dp) :: val
      82              :    CONTAINS
      83              :      PROCEDURE :: put  => put_sll
      84              :      PROCEDURE :: get  => get_sll
      85              :      PROCEDURE :: free => free_sll
      86              :      PROCEDURE :: sum_val => sum_val_sll
      87              :      procedure :: sum_entry => sum_entry_sll
      88              :      procedure :: print_all => print_all_sll
      89              :      procedure :: print_entry => print_entry_sll
      90              :   END TYPE sllist
      91              : 
      92              :   TYPE hash_table_t
      93              :      TYPE(sllist), DIMENSION(:), ALLOCATABLE :: vec
      94              :      INTEGER                                 :: vec_len = 0
      95              :      LOGICAL                                 :: is_init = .FALSE.
      96              :    CONTAINS
      97              :      PROCEDURE :: init => init_hash_table_t
      98              :      PROCEDURE :: put  => put_hash_table_t
      99              :      PROCEDURE :: get  => get_hash_table_t
     100              :      PROCEDURE :: free => free_hash_table_t
     101              :      PROCEDURE :: sum_val => sum_val_hash_table_t
     102              :      PROCEDURE :: print_all => print_all_hash_table_t
     103              :      procedure :: print_entry => print_entry_hash_table_t
     104              :      procedure :: has_key
     105              :      procedure :: put_intn
     106              :      procedure :: get_intn
     107              :      procedure :: has_key_intn
     108              :      procedure :: put_int3
     109              :      procedure :: get_int3
     110              :      procedure :: has_key_int3
     111              : 
     112              :   END TYPE hash_table_t
     113              : 
     114              :   PUBLIC :: hash_table_t
     115              : 
     116              : 
     117              : CONTAINS
     118              : 
     119       150737 :   RECURSIVE SUBROUTINE put_sll(list,key,val)
     120              :     CLASS(sllist),    INTENT(inout) :: list
     121              :     CHARACTER(len=*), INTENT(in)    :: key
     122              :     real(dp), intent(in)  :: val
     123              :     INTEGER                         :: keylen
     124              : 
     125       150737 :     keylen = LEN(key)
     126       150737 :     IF (ALLOCATED(list%key)) THEN
     127       140578 :        IF (list%key /= key) THEN
     128        45539 :           IF ( .NOT. ASSOCIATED(list%child)) then
     129         7639 :              ABI_MALLOC_SCALAR(list%child)
     130              :           end IF
     131              : 
     132        45539 :           CALL put_sll(list%child,key,val)
     133              :        else
     134        95039 :           list%val=val
     135              :        END IF
     136              :     ELSE
     137              :        IF (.NOT. ALLOCATED(list%key)) &
     138        10159 :             ABI_MALLOC_TYPE_SCALAR(CHARACTER(len=keylen), list%key)
     139        10159 :        list%key = key
     140        10159 :        list%val = val
     141              :     END IF
     142       150737 :   END SUBROUTINE put_sll
     143              : 
     144              : 
     145   2853775457 :   RECURSIVE SUBROUTINE get_sll(list,key,val)
     146              :     CLASS(sllist),                 INTENT(in)    :: list
     147              :     CHARACTER(len=*),              INTENT(in)    :: key
     148              :     real(dp),                      INTENT(out)   :: val
     149              :     INTEGER                                      :: vallen
     150              : 
     151   2853775457 :     vallen = 0
     152   2853775457 :     val=MAGIC_UNDEF
     153   2853775457 :     IF (ALLOCATED(list%key) .AND. (list%key == key)) THEN
     154     29630178 :        val = list%val
     155   2824145279 :     ELSE IF(ASSOCIATED(list%child)) THEN ! keep going
     156   2215477367 :        CALL get_sll(list%child,key,val)
     157              :     ELSE ! At the end of the list, no key found
     158              :        return
     159              :     END IF
     160              :   END SUBROUTINE get_sll
     161              : 
     162              : 
     163       129319 :   RECURSIVE SUBROUTINE free_sll(list)
     164              :     CLASS(sllist), INTENT(inout) :: list
     165       129319 :     IF (ASSOCIATED(list%child)) THEN
     166         7639 :        CALL free_sll(list%child)
     167         7639 :        ABI_FREE_SCALAR(list%child)
     168              :     END IF
     169       129319 :     list%child => NULL()
     170       129319 :     ABI_SFREE(list%key)
     171       129319 :   END SUBROUTINE free_sll
     172              : 
     173        10504 :   recursive function sum_val_sll(self) result(s)
     174              :     class(sllist), intent(in) :: self
     175              :     real(dp) :: s
     176        10504 :     s=0.0_dp
     177        10504 :     if (allocated(self%key)) then
     178          909 :        s=s+self%val
     179          909 :        if(associated(self%child)) then
     180          404 :           s=s+self%child%sum_val()
     181              :        endif
     182              :     end if
     183        10504 :   end function sum_val_sll
     184              : 
     185        41600 :   recursive function sum_entry_sll(self, label, prefix) result(s)
     186              :     class(sllist), intent(in) :: self
     187              :     character(*), optional, intent(in) :: label
     188              :     character(*), optional, intent(in) :: prefix
     189              :     real(dp) :: s
     190              : 
     191              :     integer :: length
     192              : 
     193        41600 :     if((.not. present(prefix)) .and. (.not. present(label))) then
     194            0 :       ABI_ERROR('Label and prefix not present.')
     195              :     endif
     196        41600 :     if(present(label) .and. present(prefix)) then
     197            0 :       ABI_ERROR('Label and prefix present, only specify one of the two.')
     198              :     endif
     199              : 
     200        41600 :     if(present(prefix)) length=len(prefix)
     201              : 
     202        41600 :     s=0.0_dp
     203        41600 :     if (allocated(self%key)) then
     204         3600 :       if(present(prefix)) then
     205          900 :         if(self%key(1:length) .eq. prefix) then
     206          300 :           s=s+self%val
     207              :         endif
     208              :       else
     209         2700 :         if(self%key .eq. label) then
     210          600 :           s=s+self%val
     211              :         endif
     212              :       endif
     213         3600 :       if(associated(self%child)) then
     214         3200 :         s=s+self%child%sum_entry(label=label, prefix=prefix)
     215              :       endif
     216              :     end if
     217        41600 :   end function sum_entry_sll
     218              : 
     219            0 :   recursive subroutine print_all_sll(self)
     220              :     class(sllist), intent(in) :: self
     221              :     character(len=80) :: msg
     222              : 
     223            0 :     if (allocated(self%key)) then
     224            0 :       write(msg, "(A40, 1X, ES13.5)") self%key, self%val
     225            0 :       call wrtout(std_out,msg,'COLL')
     226            0 :       call wrtout(ab_out, msg, 'COLL')
     227            0 :       if(associated(self%child)) then
     228            0 :         call self%child%print_all()
     229              :       endif
     230              :     end if
     231            0 :   end subroutine print_all_sll
     232              : 
     233          416 :   recursive subroutine print_entry_sll(self, label, prefix)
     234              :     class(sllist), intent(in) :: self
     235              :     character(*), optional, intent(in) :: label
     236              :     character(*), optional, intent(in) :: prefix
     237              : 
     238              :     integer :: length
     239              :     character(len=80) :: msg
     240              : 
     241          416 :     if((.not. present(prefix)) .and. (.not. present(label))) then
     242            0 :       ABI_ERROR('Label and prefix not present.')
     243              :     endif
     244          416 :     if(present(label) .and. present(prefix)) then
     245            0 :       ABI_ERROR('Label and prefix present, only specify one of the two.')
     246              :     endif
     247              : 
     248          416 :     if(present(prefix)) then
     249          104 :       length=len(prefix)
     250              :     endif
     251              : 
     252          416 :     if (allocated(self%key)) then
     253           36 :       if(present(prefix)) then
     254            9 :         if(self%key(1:length) .eq. prefix) then
     255            3 :           write(msg, "(A40, 1X, ES13.5)") self%key, self%val
     256            3 :           call wrtout(std_out,msg,'COLL')
     257            3 :           call wrtout(ab_out, msg, 'COLL')
     258              :         endif
     259              :       else !not prefix but label present
     260           27 :         if(self%key .eq. label) then
     261            6 :           write(msg, "(A40, 1X, ES13.5)") self%key, self%val
     262            6 :           call wrtout(std_out,msg,'COLL')
     263            6 :           call wrtout(ab_out, msg, 'COLL')
     264              :         endif
     265              :       endif
     266           36 :       if(associated(self%child)) then
     267           32 :         call self%child%print_entry(label=label, prefix=prefix)
     268              :       endif
     269              :     endif
     270              : 
     271          416 :   end subroutine print_entry_sll
     272              : 
     273           66 :   SUBROUTINE init_hash_table_t(tbl,tbl_len)
     274              :     CLASS(hash_table_t),   INTENT(inout) :: tbl
     275              :     INTEGER,     OPTIONAL, INTENT(in)    :: tbl_len
     276              : 
     277           66 :     ABI_SFREE(tbl%vec)
     278           66 :     IF (PRESENT(tbl_len)) THEN
     279       121560 :        ABI_MALLOC(tbl%vec, (tbl_len))
     280           60 :        tbl%vec_len = tbl_len
     281              :     ELSE
     282          306 :        ABI_MALLOC(tbl%vec, (tbl_size))
     283            6 :        tbl%vec_len = tbl_size
     284              :     END IF
     285           66 :     tbl%is_init = .TRUE.
     286           66 :   END SUBROUTINE init_hash_table_t
     287              : 
     288              :   ! The first part of the hashing procedure using the string
     289              :   ! collating sequence
     290    638403288 :   ELEMENTAL FUNCTION sum_string(str) RESULT(sig)
     291              :     CHARACTER(len=*), INTENT(in)   :: str
     292              :     INTEGER                        :: sig
     293    638403288 :     CHARACTER, DIMENSION(LEN(str)) :: tmp
     294              :     INTEGER :: i
     295              : 
     296  10347013160 :     FORALL (i=1:LEN(str))
     297              :        tmp(i) = str(i:i)
     298              :     END FORALL
     299  10347013160 :     sig = SUM(ICHAR(tmp))
     300    638403288 :   END FUNCTION sum_string
     301              : 
     302              : 
     303       105198 :   SUBROUTINE put_hash_table_t(tbl,key,val)
     304              :     CLASS(hash_table_t), INTENT(inout) :: tbl
     305              :     CHARACTER(len=*),    INTENT(in)    :: key
     306              :     real(dp),            INTENT(in)    :: val
     307              :     INTEGER                            :: hash
     308              : 
     309       105198 :     hash = MOD(sum_string(key),tbl%vec_len) +1
     310       105198 :     CALL tbl%vec(hash)%put(key=key,val=val)
     311       105198 :   END SUBROUTINE put_hash_table_t
     312              : 
     313              : 
     314    638298090 :   function get_hash_table_t(tbl,key) result(val)
     315              :     CLASS(hash_table_t),           INTENT(in)    :: tbl
     316              :     CHARACTER(len=*),              INTENT(in)    :: key
     317              :     real(dp)                                    :: val
     318              :     INTEGER                                      :: hash
     319              : 
     320    638298090 :     hash = MOD(sum_string(key),tbl%vec_len) + 1
     321    638298090 :     CALL tbl%vec(hash)%get(key=key,val=val)
     322    638298090 :   END function get_hash_table_t
     323              : 
     324              : 
     325           66 :   SUBROUTINE free_hash_table_t(tbl)
     326              :     CLASS(hash_table_t), INTENT(inout) :: tbl
     327              :     INTEGER     :: i, low, high
     328              : 
     329           66 :     low  = LBOUND(tbl%vec,dim=1)
     330           66 :     high = UBOUND(tbl%vec,dim=1)
     331           66 :     IF (ALLOCATED(tbl%vec)) THEN
     332       121746 :        DO i=low,high
     333       121746 :           CALL tbl%vec(i)%free()
     334              :        END DO
     335       121746 :        ABI_FREE(tbl%vec)
     336              :     END IF
     337           66 :     tbl%is_init = .FALSE.
     338           66 :   END SUBROUTINE free_hash_table_t
     339              : 
     340    638298090 :   function has_key(self, key)
     341              :     class(hash_table_t), intent(in) :: self
     342              :     character(*), intent(in) :: key
     343              :     logical :: has_key
     344    638298090 :     has_key=(self%get(key)/=MAGIC_UNDEF)
     345    638298090 :   end function has_key
     346              : 
     347         1002 :   function sum_val_hash_table_t(self, label, prefix) result(s)
     348              :     class(hash_table_t), intent(in) :: self
     349              :     character(len=*), optional, intent(in) :: label, prefix
     350              : 
     351              :     real(dp) :: s
     352              :     integer :: i
     353         1002 :     s=0.0_dp
     354         1002 :     if (.not.(self%is_init)) then
     355              :        return
     356              :     end if
     357        51102 :     do i =1, self%vec_len
     358        51102 :       if(present(label) .or. present(prefix)) then
     359        80000 :         s=s+self%vec(i)%sum_entry(label=label, prefix=prefix)
     360              :       else
     361        10100 :         s=s+ self%vec(i)%sum_val()
     362              :       endif
     363              :     end do
     364              :   end function sum_val_hash_table_t
     365              : 
     366            0 :   subroutine print_all_hash_table_t(self)
     367              :     class(hash_table_t), intent(in) :: self
     368              :     integer :: i, low, high
     369            0 :     low  = LBOUND(self%vec,dim=1)
     370            0 :     high = UBOUND(self%vec,dim=1)
     371              : 
     372            0 :     if (allocated(self%vec)) then
     373            0 :        do i =low, high
     374            0 :           call self%vec(i)%print_all()
     375              :        end do
     376              :     end if
     377            0 :   end subroutine print_all_hash_table_t
     378              : 
     379            8 :   subroutine print_entry_hash_table_t(self, label, prefix)
     380              :     class(hash_table_t), intent(in) :: self
     381              :     character(len=*), optional, intent(in) :: label, prefix
     382              :     integer :: i, low, high
     383            8 :     low  = LBOUND(self%vec,dim=1)
     384            8 :     high = UBOUND(self%vec,dim=1)
     385              : 
     386            8 :     if (allocated(self%vec)) then
     387          408 :        do i =low, high
     388          808 :           call self%vec(i)%print_entry(label=label, prefix=prefix)
     389              :        end do
     390              :     end if
     391            8 :   end subroutine print_entry_hash_table_t
     392              : 
     393        10142 :   subroutine put_intn(self, key, val, n)
     394              :     class(hash_table_t), intent(inout) :: self
     395              :     integer :: n
     396              :     integer, intent(in) :: key(n)
     397              :     real(dp) :: val
     398              :     !character(len=c_sizeof(key)) :: tmp
     399        10142 :     character(len=SIZEOF_INT * n) :: tmp
     400        10142 :     call self%put(transfer(key, tmp), val)
     401        10142 :   end subroutine put_intn
     402              : 
     403            0 :   function get_intn(self, key,n) result(val)
     404              :     class(hash_table_t), intent(inout) :: self
     405              :     integer, intent(in) :: n
     406              :     integer, intent(in) :: key(n)
     407              :     real(dp) :: val
     408              :     !character(len=c_sizeof(key)) :: tmp
     409            0 :     character(len=SIZEOF_INT * n) :: tmp
     410            0 :     val = self%get(transfer(key, tmp))
     411            0 :   end function get_intn
     412              : 
     413    638298090 :   function has_key_intn(self, key, n) result(val)
     414              :     class(hash_table_t), intent(inout) :: self
     415              :     integer, intent(in) :: n
     416              :     integer, intent(in) :: key(n)
     417              :     logical :: val
     418              :     !character(len=c_sizeof(key)) :: tmp
     419    638298090 :     character(len=SIZEOF_INT * n) :: tmp
     420    638298090 :     val = self%has_key(transfer(key, tmp))
     421    638298090 :   end function has_key_intn
     422              : 
     423              : 
     424              : 
     425            0 :   subroutine put_int3(self, key, val)
     426              :     class(hash_table_t), intent(inout) :: self
     427              :     integer, intent(in) :: key(3)
     428              :     real(dp) :: val
     429              :     character(len=SIZEOF_INT * 3) :: tmp
     430              :     !character(len=c_sizeof(key)) :: tmp
     431            0 :     call self%put(transfer(key, tmp), val)
     432            0 :   end subroutine put_int3
     433              : 
     434              : 
     435            0 :   function get_int3(self, key) result(val)
     436              :     class(hash_table_t), intent(inout) :: self
     437              :     integer, intent(in) :: key(3)
     438              :     real(dp) :: val
     439              :     character(len=12) :: tmp
     440            0 :     val = self%get(transfer(key, tmp))
     441            0 :   end function get_int3
     442              : 
     443              : 
     444            0 :   function has_key_int3(self, key) result(val)
     445              :     class(hash_table_t), intent(inout) :: self
     446              :     integer, intent(in) :: key(3)
     447              :     logical :: val
     448              :     character(len=12) :: tmp
     449            0 :     val = self%has_key(transfer(key, tmp))
     450            0 :   end function has_key_int3
     451              : 
     452              : 
     453              : 
     454            0 : end module m_hashtable_strval
        

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