implemented draw style labels

VERSION

@@ -1 +1 @@
-1.2.241
+1.2.242

src/gui/scenes.f90

@@ -114,6 +114,19 @@ module scenes
   end type draw_style_bond
   public :: draw_style_bond
 
+  !> Draw style for labels
+  type draw_style_label
+     logical :: isinit = .false. ! whether the style is intialized
+     integer(c_int) :: style ! 0=atom-symbol, 1=atom-name, 2=cel-atom, 3=cel-atom+lvec, 4=neq-atom, 5=spc, 6=Z, 7=mol, 8=wyckoff
+     real(c_float) :: scale ! scale for the labels
+     real(c_float) :: rgb(3) ! color of the labels
+     logical :: const_size ! whether labels scale with objects or are constant size
+     logical :: exclude_h ! whether to exclude hydrogen labels
+   contains
+     procedure :: reset => reset_label_style
+  end type draw_style_label
+  public :: draw_style_label
+
   ! types of representations
   integer, parameter, public :: reptype_none = 0
   integer, parameter, public :: reptype_atoms = 1
@@ -159,11 +172,7 @@ module scenes
      type(draw_style_atom) :: atom_style ! atom styles
      type(draw_style_molecule) :: mol_style ! molecule styles
      type(draw_style_bond) :: bond_style ! bond styles
-     integer(c_int) :: label_style ! 0=atom-symbol, 1=atom-name, 2=cel-atom, 3=cel-atom+lvec, 4=neq-atom, 5=spc, 6=Z, 7=mol, 8=wyckoff
-     real(c_float) :: label_scale ! scale for the labels
-     real(c_float) :: label_rgb(3) ! color of the labels
-     logical :: label_const_size ! whether labels scale with objects or are constant size
-     logical :: label_exclude_h ! whether to exclude hydrogen labels
+     type(draw_style_label) :: label_style ! bond styles
      ! unit cell
      logical :: uc_inner ! unit cell, display inner cylinders
      logical :: uc_coloraxes ! unit cell, color the axes (x=red,y=green,z=blue)
@@ -345,6 +354,11 @@ module subroutine generate_neighstars_from_globals(d,isys)
        class(draw_style_bond), intent(inout), target :: d
        integer, intent(in) :: isys
      end subroutine generate_neighstars_from_globals
+     ! draw_style_label
+     module subroutine reset_label_style(d,isys)
+       class(draw_style_label), intent(inout), target :: d
+       integer, intent(in), value :: isys
+     end subroutine reset_label_style
      ! representation
      module subroutine representation_init(r,sc,isys,irep,itype,style,flavor)
        class(representation), intent(inout), target :: r

src/gui/scenes@proc.f90

@@ -705,14 +705,12 @@ module subroutine scene_set_style_defaults(s,style)
        s%specular = 0.6_c_float
        s%shininess = 8_c_int
        do i = 1, s%nrep
-          s%rep(i)%label_rgb = 1._c_float
           s%rep(i)%uc_rgb = 1._c_float
        end do
     else
        !! simple !!
        s%bgcolor = (/1._c_float,1._c_float,1._c_float/)
        do i = 1, s%nrep
-          s%rep(i)%label_rgb = 0._c_float
           s%rep(i)%uc_rgb = 0._c_float
        end do
        s%atomborder = atomborder_def
@@ -1253,7 +1251,7 @@ module subroutine generate_neighstars_from_globals(d,isys)
     class(draw_style_bond), intent(inout), target :: d
     integer, intent(in) :: isys
 
-    integer :: i, j, n, ispc, jspc
+    integer :: i, j
     real*8 :: r1cov, r1vdw, r2cov, r2vdw
     real*8, allocatable :: rij_t(:,:,:)
 
@@ -1296,6 +1294,27 @@ module subroutine generate_neighstars_from_globals(d,isys)
 
   end subroutine generate_neighstars_from_globals
 
+  !> Reset label style with default values. Use the information in
+  !> system isys, or leave it empty if isys = 0.
+  module subroutine reset_label_style(d,isys)
+    use gui_main, only: nsys, sysc, sys_ready
+    class(draw_style_label), intent(inout), target :: d
+    integer, intent(in), value :: isys
+
+    ! check the system is sane
+    if (isys < 1 .or. isys > nsys) return
+    if (sysc(isys)%status < sys_ready) return
+
+    ! set the atom style to defaults
+    d%isinit = .true.
+    d%style = 0_c_int
+    d%scale = 0.5_c_float
+    d%rgb = 0._c_float
+    d%const_size = .false.
+    d%exclude_h = .true.
+
+  end subroutine reset_label_style
+
   !xx! representation
 
   !> Initialize a representation. If itype is present and not _none,
@@ -1314,8 +1333,6 @@ module subroutine representation_init(r,sc,isys,irep,itype,style,flavor)
     integer, intent(in) :: style
     integer, intent(in) :: flavor
 
-    integer :: i, j
-
     ! check the system is sane
     if (isys < 1 .or. isys > nsys) return
     if (sysc(isys)%status < sys_ready) return
@@ -1341,10 +1358,6 @@ module subroutine representation_init(r,sc,isys,irep,itype,style,flavor)
     r%atom_radii_reset_type = 0
     r%atom_radii_reset_scale = 0.7_c_float
     r%atom_color_reset_type = 0
-    r%label_style = 0
-    r%label_scale = 0.5_c_float
-    r%label_const_size = .false._c_bool
-    r%label_exclude_h = .true._c_bool
     r%uc_radius = 0.15_c_float
     r%uc_radiusinner = 0.15_c_float
     r%uc_innersteplen = 2d0
@@ -1356,10 +1369,8 @@ module subroutine representation_init(r,sc,isys,irep,itype,style,flavor)
 
     ! style-dependent settings
     if (style == style_phong) then
-       r%label_rgb = 1._c_float
        r%uc_rgb = 1._c_float
     else
-       r%label_rgb = 0._c_float
        r%uc_rgb = 0._c_float
     end if
 
@@ -1414,7 +1425,7 @@ module subroutine representation_init(r,sc,isys,irep,itype,style,flavor)
     call r%atom_style%reset(r%id,0)
     call r%mol_style%reset(r%id)
     call r%bond_style%reset(r%id,r%flavor)
-
+    call r%label_style%reset(r%id)
 
   end subroutine representation_init
 
@@ -1442,7 +1453,7 @@ end subroutine representation_end
   !> Update the representation to respond to a change in the number
   !> of atoms or molecules in the associated system.
   module subroutine update_structure(r)
-    use gui_main, only: nsys, sys, sysc, lockbehavior, sys_ready
+    use gui_main, only: nsys, sys, sysc, sys_ready
     class(representation), intent(inout), target :: r
 
     logical :: doreset
@@ -1468,6 +1479,9 @@ module subroutine update_structure(r)
     doreset = doreset .or. (r%mol_style%ntype /= sys(r%id)%c%nmol)
     if (doreset) call r%mol_style%reset(r%id)
 
+    doreset = .not.r%mol_style%isinit
+    if (doreset) call r%label_style%reset(r%id)
+
   end subroutine update_structure
 
   !> Add the spheres, cylinder, etc. to the draw lists. Use nc number
@@ -1797,7 +1811,7 @@ module subroutine add_draw_elements(r,nc,nsph,drawlist_sph,ncyl,drawlist_cyl,&
 
                    ! labels
                    if (r%labels_display .and. &
-                      (.not.r%label_exclude_h.or.sys(r%id)%c%spc(sys(r%id)%c%atcel(i)%is)%z/=1)) then
+                      (.not.r%label_style%exclude_h.or.sys(r%id)%c%spc(sys(r%id)%c%atcel(i)%is)%z/=1)) then
                       nstring = nstring + 1
                       if (nstring > size(drawlist_string,1)) then
                          allocate(auxstr(2*nstring))
@@ -1808,30 +1822,30 @@ module subroutine add_draw_elements(r,nc,nsph,drawlist_sph,ncyl,drawlist_cyl,&
                       drawlist_string(nstring)%x = real(xc + uoriginc,c_float)
                       drawlist_string(nstring)%xdelta = cmplx(xdelta1,kind=c_float_complex)
                       drawlist_string(nstring)%r = real(rad1,c_float)
-                      drawlist_string(nstring)%rgb = r%label_rgb
-                      if (r%label_const_size) then
-                         drawlist_string(nstring)%scale = r%label_scale
+                      drawlist_string(nstring)%rgb = r%label_style%rgb
+                      if (r%label_style%const_size) then
+                         drawlist_string(nstring)%scale = r%label_style%scale
                       else
-                         drawlist_string(nstring)%scale = -r%label_scale
+                         drawlist_string(nstring)%scale = -r%label_style%scale
                       end if
-                      if (r%label_style == 0) then ! 0 = atomic symbol
+                      if (r%label_style%style == 0) then ! 0 = atomic symbol
                          drawlist_string(nstring)%str = trim(nameguess(sys(r%id)%c%spc(sys(r%id)%c%atcel(i)%is)%z,.true.))
-                      elseif (r%label_style == 1) then ! 1 = atom name
+                      elseif (r%label_style%style == 1) then ! 1 = atom name
                          drawlist_string(nstring)%str = trim(sys(r%id)%c%spc(sys(r%id)%c%atcel(i)%is)%name)
-                      elseif (r%label_style == 2) then ! 2 = cel-atom
+                      elseif (r%label_style%style == 2) then ! 2 = cel-atom
                          drawlist_string(nstring)%str = string(i)
-                      elseif (r%label_style == 3) then ! 3 = cel-atom + lvec
+                      elseif (r%label_style%style == 3) then ! 3 = cel-atom + lvec
                          drawlist_string(nstring)%str = string(i) // newline // "(" // string(ix(1)) // "," //&
                             string(ix(2)) // "," // string(ix(3)) // ")"
-                      elseif (r%label_style == 4) then ! 4 = neq atom
+                      elseif (r%label_style%style == 4) then ! 4 = neq atom
                          drawlist_string(nstring)%str = string(sys(r%id)%c%atcel(i)%idx)
-                      elseif (r%label_style == 5) then ! 5 = spc
+                      elseif (r%label_style%style == 5) then ! 5 = spc
                          drawlist_string(nstring)%str = string(sys(r%id)%c%atcel(i)%is)
-                      elseif (r%label_style == 6) then ! 6 = Z
+                      elseif (r%label_style%style == 6) then ! 6 = Z
                          drawlist_string(nstring)%str = string(sys(r%id)%c%spc(sys(r%id)%c%atcel(i)%is)%z)
-                      elseif (r%label_style == 7) then ! 7 = mol
+                      elseif (r%label_style%style == 7) then ! 7 = mol
                          drawlist_string(nstring)%str = string(imol)
-                      elseif (r%label_style == 8) then ! 8 = wycoff
+                      elseif (r%label_style%style == 8) then ! 8 = wycoff
                          idx = sys(r%id)%c%atcel(i)%idx
                          drawlist_string(nstring)%str = string(sys(r%id)%c%at(idx)%mult) //&
                             string(sys(r%id)%c%at(idx)%wyc)

src/gui/windows@tree.f90

@@ -2541,6 +2541,7 @@ subroutine system_force_build_lists(i)
       do j = 1, nwin
          if (.not.win(j)%isinit) cycle
          if (win(j)%type == wintype_view .and..not.win(j)%ismain.and.associated(win(j)%sc)) then
+            ! force build lists and update representations
             do k = 1, win(j)%sc%nrep
                if (win(j)%sc%rep(k)%isinit .and. win(j)%sc%rep(k)%type==reptype_atoms.and.&
                   win(j)%sc%rep(k)%bond_style%isinit.and.win(j)%sc%rep(k)%bond_style%isdef) then

src/gui/windows@view.f90

@@ -2157,21 +2157,21 @@ module function draw_editrep_atoms(w,ttshown) result(changed)
           !! labels display !!
 
           ! label styles
-          call iw_text("Style Options",highlight=.true.)
+          call iw_text("Global Options",highlight=.true.)
           if (sys(isys)%c%ismolecule) then
-             lst = lsttrans(w%rep%label_style)
+             lst = lsttrans(w%rep%label_style%style)
              call iw_combo_simple("Text##labelcontentselect","Atomic symbol"//c_null_char//&
                 "Atom name"// c_null_char//"Atom ID"// c_null_char//&
                 "Species ID"// c_null_char// "Atomic number"// c_null_char// "Molecule ID"// c_null_char,&
                 lst,changed=ch)
-             w%rep%label_style = lsttransi(lst)
+             w%rep%label_style%style = lsttransi(lst)
           else
              call iw_combo_simple("Text##labelcontentselect","Atomic symbol"//c_null_char//&
                 "Atom name"//c_null_char//"Cell atom ID"//c_null_char//&
                 "Cell atom ID + lattice vector"//c_null_char//"Symmetry-unique atom ID"//c_null_char//&
                 "Species ID"//c_null_char//"Atomic number"//c_null_char//"Molecule ID"//c_null_char//&
                 "Wyckoff position"//c_null_char,&
-                w%rep%label_style,changed=ch)
+                w%rep%label_style%style,changed=ch)
           end if
           call iw_tooltip("Text to display in the atom labels",ttshown)
           changed = changed .or. ch
@@ -2180,22 +2180,22 @@ module function draw_editrep_atoms(w,ttshown) result(changed)
           str2 = "Scale##labelscale" // c_null_char
           str3 = "%.2f" // c_null_char
           call igPushItemWidth(iw_calcwidth(4,1))
-          changed = changed .or. igDragFloat(c_loc(str2),w%rep%label_scale,0.01_c_float,0._c_float,10._c_float,c_loc(str3),&
+          changed = changed .or. igDragFloat(c_loc(str2),w%rep%label_style%scale,0.01_c_float,0._c_float,10._c_float,c_loc(str3),&
              ImGuiSliderFlags_AlwaysClamp)
           call igPopItemWidth()
           call iw_tooltip("Scale factor for the atom labels",ttshown)
 
-          changed = changed .or. iw_checkbox("Constant size##labelconstsize",w%rep%label_const_size,sameline=.true.)
+          changed = changed .or. iw_checkbox("Constant size##labelconstsize",w%rep%label_style%const_size,sameline=.true.)
           call iw_tooltip("Labels have constant size (on) or labels scale with the size of the associated atom (off)",ttshown)
 
           call igSameLine(0._c_float,-1._c_float)
           str2 = "Color##labelcolor" // c_null_char
-          changed = changed .or. igColorEdit3(c_loc(str2),w%rep%label_rgb,ImGuiColorEditFlags_NoInputs)
+          changed = changed .or. igColorEdit3(c_loc(str2),w%rep%label_style%rgb,ImGuiColorEditFlags_NoInputs)
           call iw_tooltip("Color of the atom labels",ttshown)
-          call iw_clamp_color3(w%rep%label_rgb)
+          call iw_clamp_color3(w%rep%label_style%rgb)
 
           ! exclude H
-          changed = changed .or. iw_checkbox("Exclude hydrogens##labelexcludeh",w%rep%label_exclude_h)
+          changed = changed .or. iw_checkbox("Exclude hydrogens##labelexcludeh",w%rep%label_style%exclude_h)
           call iw_tooltip("Do not show labels on hydrogen atoms",ttshown)
 
           call igEndTabItem()