New line tracing with Freestyle; move all colour theming into appropr…

…iate section of config file; make arrow colour configurable; provide alternate colour scheme

README.md

@@ -54,9 +54,7 @@ The simplest way to get up and running is
 ## Requirements
 
 - Some means of generating .ascii files. We like [Phonopy](http://phonopy.sourceforge.net).
-- A recent version of Blender; development is currently with
-  Blender 2.73 and later, although some effort exists to preserve compatibility with earlier versions.
-  [Ubuntu repositories are often quite far behind...]
+- A recent version of Blender; development is currently with Blender 2.76 and later.
 - [Imagemagick](http://www.imagemagick.org) tools (specifically "convert" and "montage") are used for image conversion and tiling.
   This is available in most package managers and may even be pre-installed with your Unix-like operating system.
 - The GUI uses Tkinter with the python image library. On Linux this is typically packaged as `python-imaging-tk`. Mac OSX and Windows Python distributions tend to include Tkinter, but it may be necessary to also install a PIL implementation such as Pillow.

addons/vsim2blender/__init__.py

@@ -12,8 +12,8 @@
     "name": "ascii phonons",
     "description": "Generate phonon mode visualisations from ASCII input files",
     "author": "Adam J. Jackson",
-    "version": (0,4,1),
-    "blender": (2, 65, 0),
+    "version": (0,5,0),
+    "blender": (2, 67, 0),
     "location": "",
     "category": "Import-Export",
     "tracker_url": "https://github.com/ajjackson/ascii-phonons/issues"

addons/vsim2blender/plotter.py

@@ -315,6 +315,7 @@ def open_mode(ascii_file, mode_index, supercell=[2,2,2], animate=True, camera_ro
                           mass=mass,
                           rot_euler=vector_to_euler(arrow_vector),
                           scale=arrow_vector.length*arrow_magnitude)
+                bpy.data.materials['Arrow'].diffuse_color = string_to_list(config.get('colours','arrow',fallback='0. 0. 0.'))
 
     # Position camera and colour world
     # Note that cameras as objects and cameras as 'cameras' have different attributes,
@@ -324,12 +325,12 @@ def open_mode(ascii_file, mode_index, supercell=[2,2,2], animate=True, camera_ro
                         field_of_view=0.2, miller=miller,  scene=bpy.context.scene)
 
     bpy.context.scene.world = bpy.data.worlds['World']
-    bpy.data.worlds['World'].horizon_color = [float(x) for x in 
-                                              config['general']['background'].split()]
+    bpy.data.worlds['World'].horizon_color = string_to_list(config.get(
+        'colours','background', fallback='0.5 0.5 0.5'))
 
 def setup_render(start_frame=0, end_frame=None, n_frames=30, preview=False):
     """
-    Setup the render setting
+    Setup the render (old style)
     
     :param n_frames: Animation length of a single oscillation cycle in frames
     :type n_frames: Positive int
@@ -357,6 +358,115 @@ def setup_render(start_frame=0, end_frame=None, n_frames=30, preview=False):
     bpy.context.scene.frame_start = start_frame
     bpy.context.scene.frame_end = end_frame
 
+def setup_render_freestyle(start_frame=0, end_frame=None, n_frames=30,
+                           preview=False, config=False):
+    """
+    Setup the render setting
+    
+    :param n_frames: Animation length of a single oscillation cycle in frames
+    :type n_frames: Positive int
+    :param start_frame: The starting frame number of the rendered animation (default=0)
+    :type start_frame: int or None
+    :param end_frame: The ending frame number of the rendered animation (default=start_frame+n_frames-1)
+    :type end_frame: int or None
+    :param preview: Write to a temporary preview file at low resolution instead of the output. Use first frame only.
+    :type preview: str or Boolean False
+    :param config: Configuration settings -- this function makes use of
+                   'box_thickness' and 'outline_thickness' keys in [general] section
+                   and 'outline' and 'box' keys in [colours] section
+    :type config: configparser.ConfigParser
+
+    """
+    if type(start_frame) != int:
+        start_frame = 0
+    if preview:
+        end_frame = start_frame
+    elif type(end_frame) != int:
+        end_frame = start_frame + n_frames - 1
+
+    if not config:
+        config = vsim2blender.read_config()
+
+    bpy.context.scene.render.resolution_x = 1080
+    bpy.context.scene.render.resolution_y = 1080
+    if preview:
+        bpy.context.scene.render.resolution_percentage = 20
+    else:
+        bpy.context.scene.render.resolution_percentage = 50        
+
+    bpy.context.scene.frame_start = start_frame
+    bpy.context.scene.frame_end = end_frame
+
+    bpy.context.scene.render.use_freestyle=True
+
+    # Wireframe box and add to "Group" for exclusion from outlining
+    # Freestyle doesn't work with wireframes
+    bpy.data.materials['Bounding Box'].type = 'SURFACE'
+    bpy.data.objects['Bounding Box'].select = True
+
+    bpy.ops.object.modifier_add(type='SUBSURF')
+    mesh_to_wireframe(bpy.data.objects['Bounding Box'])
+    mark_edges(bpy.data.objects['Bounding Box'])
+    # bpy.ops.object.group_add()
+
+    # Bounding box line settings
+    bpy.ops.scene.freestyle_lineset_add()
+    boxlines = bpy.context.scene.render.layers['RenderLayer'].freestyle_settings.linesets.active
+    boxlines.linestyle.thickness = float(config.get('general','box_thickness', fallback=5))
+    boxlines.linestyle.color = string_to_list(config.get('colours', 'box', fallback='1. 1. 1.'))
+    # Bounding box tracer ignores everything but Freestyle marked edges
+    boxlines.select_silhouette = False
+    boxlines.select_border = False
+    boxlines.select_crease = False
+    boxlines.select_edge_mark = True
+
+    # Outline settings
+    bpy.ops.scene.freestyle_lineset_add()
+    atomlines = bpy.context.scene.render.layers['RenderLayer'].freestyle_settings.linesets.active
+    atomlines.linestyle.thickness = float(config.get('general','outline_thickness', fallback=3))
+    atomlines.linestyle.color = string_to_list(config.get('colours', 'outline', fallback='0. 0. 0.'))
+    # # Ignore members of 'Group' (i.e. the bounding box) when tracing thin black lines
+    # atomlines.group_negation = 'EXCLUSIVE'
+    # atomlines.group = bpy.data.groups['Group']
+
+def string_to_list(string):
+    return [float(x) for x in string.split()]
+
+def mesh_to_wireframe(bpy_object):
+    """
+    Create and apply a wireframe modifier to a mesh object
+
+    :param bpy_object: Simple mesh object to convert to a wireframe
+    :type bpy_object: Blender object
+    
+    :returns wire_object: Original object with applied wireframe
+    :rtype wire_object: Blender object
+    """
+    bpy.context.scene.objects.active = bpy_object
+    bpy_object.select = True
+    bpy.ops.object.modifier_add(type='WIREFRAME')
+    bpy.ops.object.modifier_apply(apply_as='DATA', modifier="Wireframe")
+    return bpy_object
+
+def mark_edges(bpy_object):
+    """
+    Mark all the edges of an object's mesh for Freestyle
+
+    :param bpy_object: Object to mark. Must have a mesh.
+    :type bpy_object: Blender object
+
+    :returns marked_object: Original object with Freestyle marks
+    :rtype marked_object: Blender object
+    """
+    bpy.context.scene.objects.active = bpy_object    
+    bpy_object.select = True
+    bpy.ops.object.mode_set(mode='EDIT')
+    bpy.ops.mesh.select_all(action='SELECT')
+    bpy.ops.mesh.mark_freestyle_edge()
+    bpy.ops.object.mode_set(mode='OBJECT')    
+    return bpy_object
+
+
 def render(scene=False, output_file=False, preview=False):
     """
     Render the scene

addons/vsim2blender/settings.conf

@@ -1,3 +1,9 @@
 [general]
+box_thickness = 5
+outline_thickness = 3
 
+[colours]
 background = 0.5 0.5 0.5
+box = 1. 1. 1.
+outline = 0. 0. 0.
+

ascii_phonons/__init__.py

@@ -63,7 +63,7 @@ def call_blender(input_file, blender_bin=False, mode_index=0, supercell=(2,2,2),
                                 start_frame={start_frame}, end_frame={end_frame},
                                 preview={preview}, do_mass_weighting={do_mass_weighting},
                                 camera_rot={camera_rot}, miller={miller}, zoom={zoom})
-vsim2blender.plotter.setup_render(n_frames={3}, start_frame={start_frame}, end_frame={end_frame}, preview={preview})
+vsim2blender.plotter.setup_render_freestyle(n_frames={3}, start_frame={start_frame}, end_frame={end_frame}, preview={preview}, config=config)
 vsim2blender.plotter.render(output_file='{out_file}', preview={preview})
 """.format(input_file, mode_index, animate, n_frames, vectors,
            scale_factor, vib_magnitude, arrow_magnitude,

docs/Config.rst

@@ -23,10 +23,19 @@ Parameters and section headers are *case-sensitive*, and are lower-case except f
 Settings
 --------
 
-**settings.conf** currently hosts one section, ``[general]``, with the following parameters:
+**settings.conf**, which lies inside the **vsim2blender** package, contains default settings that are not related to specific elements. 
 
-* ``background = R G B`` The background colour is set with three floating point RGB values. These range between 0 and 1.
+::
+
+   [general]
+   box_thickness = 5
+   outline_thickness = 3
 
+   [colours]
+   background = 0.5 0.5 0.5
+   box = 1. 1. 1.
+   outline = 0. 0. 0.
+  
 Elements
 --------
 
@@ -56,6 +65,11 @@ welcome for a more mainstream pallette. The values are RGB tuples, with values r
     [colours]
     Cu = 0.8 0.3 0.1
 
+User configuration
+------------------
+An example user configuration file, with an alternative colour scheme, is included in the main project directory as **example.conf**. Note that the colour information for elements and for other parts of the image may be mixed freely.
+
+
 .. [1] www.nist.gov/pml/data/comp  J. S. Coursey, D. J. Schwab, J. J. Tsai, and R. A. Dragoset, NIST Physical Measurement Laboratory
 .. [2] http://dx.doi.org/10.1039/B801115J B. Cordero *et al.* (2008) *Dalton Trans.* **2008** (21) 2832-2838
 

docs/conf.py

@@ -63,9 +63,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = u'0.4'
+version = u'0.5'
 # The full version, including alpha/beta/rc tags.
-release = u'0.4.1'
+release = u'0.5.0'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

example.conf

@@ -0,0 +1,14 @@
+[general]
+
+box_thickness = 8
+outline_thickness = 2
+
+[colours]
+
+background = 0.0 0.02 0.03
+box = 0.3 0.5 1.0
+outline = 1.0 1.0 1.0
+arrow = 1.0 1.0 1.0
+
+S = 0.6 0.6 0.0
+Sn = 0.3 0.5 0.4