started the system geometry dialog

VERSION

@@ -1 +1 @@
-1.2.333
+1.2.334

src/gui/windows.f90

@@ -212,6 +212,8 @@ module windows
      procedure :: draw_vibrations
      ! rebond
      procedure :: draw_rebond
+     ! geometry
+     procedure :: draw_geometry
      ! preferences
      procedure :: draw_preferences
   end type window
@@ -244,6 +246,7 @@ module windows
   integer, parameter, public :: wintype_rebond = 14
   integer, parameter, public :: wintype_preferences = 15
   integer, parameter, public :: wintype_treeplot = 16
+  integer, parameter, public :: wintype_geometry = 17
 
   ! window purposes
   integer, parameter, public :: wpurp_unknown = 0
@@ -451,6 +454,9 @@ end subroutine draw_vibrations
      module subroutine draw_rebond(w)
        class(window), intent(inout), target :: w
      end subroutine draw_rebond
+     module subroutine draw_geometry(w)
+       class(window), intent(inout), target :: w
+     end subroutine draw_geometry
   end interface
 
 end module windows

src/gui/windows@proc.f90

@@ -310,12 +310,13 @@ module function stack_create_window(type,isopen,purpose,isys,irep,idcaller,perma
        if (orraise < 0) then
           raiseid = 0
           do i = 1, nwin
-             ! wintype_dialog
              ok = win(i)%type == type .and. win(i)%isopen
+             ! specific tests according to type
              if (ok.and.type == wintype_dialog) ok = (win(i)%dialog_data%purpose == purpose)
              if (ok.and.type == wintype_editrep) ok = (win(i)%isys == isys .and.&
                 win(i)%irep == irep .and. win(i)%idparent == idcaller)
              if (ok.and.type == wintype_scfplot) ok = (win(i)%isys == isys)
+             if (ok.and.type == wintype_geometry) ok = (win(i)%isys == isys)
              if (ok) then
                 raiseid = i
                 exit
@@ -517,6 +518,10 @@ module subroutine window_init(w,type,isopen,id,purpose,isys,irep,idcaller)
        ! recalculate bonds window
        if (.not.present(isys)) &
           call ferror('window_init','rebond requires isys',faterr)
+    elseif (type == wintype_geometry) then
+       ! geometry window
+       if (.not.present(isys)) &
+          call ferror('window_init','geometry requires isys',faterr)
     end if
 
   end subroutine window_init
@@ -736,6 +741,12 @@ module subroutine window_draw(w)
           inisize%x = 55 * fontsize%x
           inisize%y = 23 * fontsize%y
           call igSetNextWindowSize(inisize,ImGuiCond_FirstUseEver)
+       elseif (w%type == wintype_geometry) then
+          w%name = "Geometry##"  // string(w%id) // c_null_char
+          w%flags = ImGuiWindowFlags_None
+          inisize%x = 55 * fontsize%x
+          inisize%y = 23 * fontsize%y
+          call igSetNextWindowSize(inisize,ImGuiCond_FirstUseEver)
        elseif (w%type == wintype_preferences) then
           w%name = "Preferences##" // string(w%id)  // c_null_char
           w%flags = ImGuiWindowFlags_None
@@ -797,6 +808,8 @@ module subroutine window_draw(w)
                 call w%draw_vibrations()
              elseif (w%type == wintype_rebond) then
                 call w%draw_rebond()
+             elseif (w%type == wintype_rebond) then
+                call w%draw_geometry()
              elseif (w%type == wintype_preferences) then
                 call w%draw_preferences()
              elseif (w%type == wintype_treeplot) then

src/gui/windows@tree.f90

@@ -95,6 +95,7 @@ module subroutine draw_tree(w)
     logical, save :: ttshown = .false. ! tooltip flag
     integer(c_int), save :: iresample(3) = (/0,0,0/) ! for the grid resampling menu option
     integer(c_int), save :: idrebond = 0 ! ID of the window used to rebond the sytsem
+    integer(c_int), save :: idgeometry = 0 ! ID of the window used for geometry view/edit
     integer(c_int), save :: shown_after_filter = 0 ! number of systems shown after the filter
     real*8, save :: timelastupdate = 0d0
     real*8, save :: timelastresize = 0d0
@@ -123,8 +124,9 @@ module subroutine draw_tree(w)
        if (timelastsort < sysc(i)%timelastchange) w%forcesort = .true.
     end do
 
-    ! update the window ID for the rebond dialog
+    ! update the window ID for the dialogs
     call update_window_id(idrebond)
+    call update_window_id(idgeometry)
 
     ! Tree options button
     export = .false.
@@ -1001,13 +1003,13 @@ subroutine write_maybe_selectable(isys,tooltipstr)
          end if
 
          ! geometry submenu (system)
-         strpop = "Geometry" // c_null_char
+         strpop = "System" // c_null_char
          if (igBeginMenu(c_loc(strpop),.true._c_bool)) then
-            ! ! Geometry
-            ! strpop = "Geometry Information" // c_null_char
-            ! if (igMenuItem_Bool(c_loc(strpop),c_null_ptr,.false._c_bool,enabled)) &
-            !    idrebond = stack_create_window(wintype_rebond,.true.,isys=isys,orraise=-1)
-            ! call iw_tooltip("Recalculate the covalent bonds in this system and the molecular structures",ttshown)
+            ! Geometry
+            strpop = "Geometry" // c_null_char
+            if (igMenuItem_Bool(c_loc(strpop),c_null_ptr,.false._c_bool,enabled)) &
+               idgeometry = stack_create_window(wintype_geometry,.true.,isys=isys,orraise=-1)
+            call iw_tooltip("View and edit the atomic positions, bonds, etc.",ttshown)
 
             ! rebond
             strpop = "Recalculate Bonds" // c_null_char
@@ -1165,6 +1167,7 @@ subroutine select_system(i,force)
       if (tree_select_updates_view .or. force) &
          call win(iwin_view)%select_view(i)
       if (idrebond > 0) win(idrebond)%isys = i
+      if (idgeometry > 0) win(idgeometry)%isys = i
 
     end subroutine select_system
 
@@ -2769,4 +2772,35 @@ end subroutine getname
 
   end subroutine draw_treeplot
 
+  !> Draw the geometry window.
+  module subroutine draw_geometry(w)
+    use keybindings, only: is_bind_event, BIND_CLOSE_FOCUSED_DIALOG,&
+       BIND_OK_FOCUSED_DIALOG, BIND_CLOSE_ALL_DIALOGS
+    use gui_main, only: nsys, sysc, sys, sys_init, g
+    use utils, only: iw_text, iw_tooltip, iw_calcwidth, iw_button, iw_calcheight
+    use global, only: bondfactor_def
+    use tools_io, only: string, nameguess
+    use param, only: atmcov0, maxzat0, bohrtoa, newline
+    class(window), intent(inout), target :: w
+
+    logical :: doquit
+
+    ! initialize
+    doquit = .false.
+
+    ! xxxx
+
+    ! close button
+    doquit = (w%focused() .and. (is_bind_event(BIND_OK_FOCUSED_DIALOG) .or.&
+       is_bind_event(BIND_CLOSE_FOCUSED_DIALOG) .or.&
+       is_bind_event(BIND_CLOSE_ALL_DIALOGS)))
+    doquit = doquit .or. iw_button("Close",sameline=.true.)
+
+    ! quit the window
+    if (doquit) then
+       call w%end()
+    end if
+
+  end subroutine draw_geometry
+
 end submodule tree