Subversion Repositories wimsdev

Rev

Rev 13594 | Show entire file | Ignore whitespace | Details | Blame | Last modification | View Log | RSS feed

Rev 13594 Rev 14116
Line 13... Line 13...
13 
 
 13 
 
14 
!exit
 14 
!exit
15 
 
 15 
 
16 
:proc
 16 
:proc
17 
 
 17 
 
- 
 
 18 
!!TODO: rajouter une option si on veut avoir une liste d'information
- 
 
 19 
!! en particulier (signification ??)
18 
 
 20 
 
19 
slib_element=Actinium,89,Ac,227.0278,,,,,,,\
 21 
slib_element=Actinium,89,Ac,227.0278,,,,,,,\
20 
Argent,47,Ag,107.87,2210,960.8,10.5,60.7,2.7,.616,.98\
 22 
Argent,47,Ag,107.87,2210,960.8,10.5,60.7,2.7,.616,.98\
21 
Aluminum,13,Al,26.9815,2450,660,2.7,67.9,2.55,.382,.5\
 23 
Aluminum,13,Al,26.9815,2450,660,2.7,67.9,2.55,.382,.5\
22 
Americium,95,Am,243.0614,,,,,,,\
 24 
Americium,95,Am,243.0614,,,,,,,\
Line 120... Line 122...
120 
Zinc,30,Zn,65.37,906,419.5,7.14,27.4,1.76,.167,.27\
 122 
Zinc,30,Zn,65.37,906,419.5,7.14,27.4,1.76,.167,.27\
121 
Zirconium,40,Zr,91.22,3580,1852,6.49,120,4,0.024,--
 123 
Zirconium,40,Zr,91.22,3580,1852,6.49,120,4,0.024,--
122 
 
 124 
 
123 
slib_data=$wims_read_parm
 125 
slib_data=$wims_read_parm
124 
 
 126 
 
125 
!!transforme la donnée en une liste des atomes composant
 127 
!!transforme la donnée en une liste des atomes + nombre
126 
avec un numero
 - 
 
127 
!! données = H2,O ou H,2;O ou H2 O
 128 
!! data = H2,O ou H,2;O ou H2 O
128 
slib_data=!singlespace $slib_data
 129 
slib_data=!singlespace $slib_data
129 
slib_data=!declosing $slib_data
 130 
slib_data=!declosing $slib_data
130 
slib_data=!translate internal ; to $\
 131 
slib_data=!translate internal ; to $\
131 
$ in $slib_data
 132 
$ in $slib_data
132 
slib_data=!nonempty lines $slib_data
 133 
slib_data=!nonempty lines $slib_data
Line 141... Line 142...
141 
  slib_data=!words2lines $slib_data
 142 
  slib_data=!words2lines $slib_data
142 
!endif
 143 
!endif
143 
slib_cnt=!linecnt $slib_data
 144 
slib_cnt=!linecnt $slib_data
144 
slib_data=!trim $slib_data
 145 
slib_data=!trim $slib_data
145 
 
 146 
 
146 
slib_out=
 147 
!reset slib_out
147 
!for slib_i=1 to  $slib_cnt
 148 
!for slib_i=1 to  $slib_cnt
148 
  slib_mol=!line $slib_i of $slib_data
 149 
  slib_mol=!line $slib_i of $slib_data
149 
  slib_name=!replace [0-9] by $ in $slib_mol
 150 
  slib_name=!replace [0-9] by $ in $slib_mol
150 
  slib_name=!nonempty item $slib_name
 151 
  slib_name=!nonempty item $slib_name
151 
  slib_number= !replace [a-zA-Z] by $ in $slib_mol
 152 
  slib_number=!replace [a-zA-Z] by $ in $slib_mol
152 
  slib_number=!nonempty item $slib_number
 153 
  slib_number=!nonempty item $slib_number
153 
  !if $slib_number=$empty
 154 
  !if $slib_number=$empty
154 
    slib_number=1
 155 
    slib_number=1
155 
  !endif
 156 
  !endif
156 
  slib_pos=!positionof item $slib_name in $slib_element
 157 
  slib_pos=!positionof item $slib_name in $slib_element
157 
  slib_pos=$[floor($slib_pos/10)+1]
 158 
  slib_pos=$[floor($slib_pos/10)+1]
158 
 
 - 
 
159 
  slib_line=!line $slib_pos of $slib_element
 159 
  slib_line=!line $slib_pos of $slib_element
160 
  slib_out=!append line $slib_number,$slib_line to $slib_out
 160 
  slib_out=!append line $slib_number,$slib_line to $slib_out
161 
!next slib_i
 161 
!next slib_i
162 
$slib_out=
 -