aboutsummaryrefslogtreecommitdiff
path: root/mendeleev.f90
blob: 5abe2a473f0228e0c880340a3401791914f1f778 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
program mendeleev

   implicit none

   character(len=2), dimension(0:118), parameter :: ELEMENTS = (/ "? ", &
     "Ac", "Ag", "Al", "Am", "Ar", "As", "At", "Au", "B ", "Ba", "Be", "Bh", &
     "Bi", "Bk", "Br", "C ", "Ca", "Cd", "Ce", "Cf", "Cl", "Cm", "Cn", "Co", &
     "Cr", "Cs", "Cu", "Db", "Ds", "Dy", "Er", "Es", "Eu", "F ", "Fe", "Fl", &
     "Fm", "Fr", "Ga", "Gd", "Ge", "H ", "He", "Hf", "Hg", "Ho", "Hs", "I ", &
     "In", "Ir", "K ", "Kr", "La", "Li", "Lr", "Lu", "Lv", "Mc", "Md", "Mg", &
     "Mn", "Mo", "Mt", "N ", "Na", "Nb", "Nd", "Ne", "Nh", "Ni", "No", "Np", &
     "O ", "Og", "Os", "P ", "Pa", "Pb", "Pd", "Pm", "Po", "Pr", "Pt", "Pu", &
     "Ra", "Rb", "Re", "Rf", "Rg", "Rh", "Rn", "Ru", "S ", "Sb", "Sc", "Se", &
     "Sg", "Si", "Sm", "Sn", "Sr", "Ta", "Tb", "Tc", "Te", "Th", "Ti", "Tl", &
     "Tm", "Ts", "U ", "V ", "W ", "Xe", "Y ", "Yb", "Zn", "Zr" /)

   type :: formula_t
      integer :: tail = 1
      integer :: n = 0
      integer, dimension(:), allocatable :: elements
      type(formula_t), pointer :: next => null()
   end type formula_t

   type(formula_t), pointer :: formula, f
   character(len=:), allocatable :: word
   integer :: length, argc, i, j

   argc = command_argument_count()
   do i = 1, argc
      call get_command_argument(i, length=length)
      allocate(character(len=length) :: word)
      call get_command_argument(i, value=word)
      write (*, "(A, ':')") word

      formula => explode(word)

      f => formula
      do while (associated(f))
         if (f%n > 0) then
            do j = 1, f%n
               write (*, "(' ', A)", advance="no") trim(ELEMENTS(f%elements(j)))
            end do
            write (*, "()")
         end if
         f => f%next
      end do

      call free_formula(formula)
      deallocate(word)
   end do


contains

   pure subroutine free_formula(formula)
      type(formula_t), pointer, intent(in out) :: formula

      type(formula_t), pointer :: next

      do while (associated(formula))
         next => formula%next
         deallocate(formula%elements)
         deallocate(formula)
         formula => next
      end do
   end subroutine free_formula


   pure integer function tolower(c)
      character(len=1), intent(in) :: c

      tolower = ior(32, iachar(c))
   end function tolower


   pure subroutine search(start, length, sh, c)
      integer, intent(in out) :: start, length
      integer, intent(in) :: sh
      character(len=1), intent(in) :: c

      integer :: l, m, u, c_

      c_ = tolower(c)

      u = start + length
      l = start
      do while (l < u)
         m = (u + l) / 2
         if (tolower(ELEMENTS(m)(sh:sh)) < c_) then
           l = m + 1
         else
           u = m
        endif
      end do

      if (l == start + length) then
        length = 0
        return
      end if

      if (tolower(ELEMENTS(l)(sh:sh)) /= c_) then
        length = 0
        return
      end if

      u = start + length
      start = l
      do while (l < u)
         m = (u + l) / 2
         if (c_ < tolower(ELEMENTS(m)(sh:sh))) then
           u = m
         else
           l = m + 1
        endif
      end do

      length = u - start
   end subroutine search


   pure subroutine advance(word, f)
      character(len=*), intent(in) :: word
      type(formula_t), pointer, intent(in out) :: f

      integer :: n, tail
      integer :: start, length, sh, c
      type(formula_t), pointer :: g

      tail = f%tail
      n = f%n

      sh = 0
      start = 1
      length = ubound(ELEMENTS, 1)
      do
         c = tail + sh
         if (len(word) < c) exit

         sh = sh + 1
         call search(start, length, sh, word(c:c))
         if (length == 0) exit

         if (sh == len_trim(ELEMENTS(start))) then
            if (n /= f%n) then
               allocate(g)
               allocate(g%elements(len(word)))
               g%n = n
               g%elements(1:n) = f%elements(1:n)
               g%next => f%next
               f%next => g
               f => g
            end if

            f%n = f%n + 1
            f%elements(f%n) = start
            f%tail = c + 1
            start = start + 1
            length = length - 1
         end if
      end do

      if (n == f%n) then
         f%tail = f%tail + 1
         f%n = f%n + 1
         f%elements(f%n) = 0
      end if
   end subroutine advance


   pure function explode(word) result(formula)
      character(len=*), intent(in) :: word
      type(formula_t), pointer :: formula

      type(formula_t), pointer :: f

      allocate(formula)
      allocate(formula%elements(len(word)))

      do while (formula%tail <= len(word))
         f => formula
         do while (associated(f))
            if (f%tail <= len(word)) then
               call advance(word, f)
            end if
            f => f%next
         end do
      end do
   end function explode
end program mendeleev