Пример #1
0
    def __init__(self, assy, list, READ_FROM_MMP = False):
        RectGadget.__init__(self, assy, list, READ_FROM_MMP)
        self.assy = assy
        self.color = black # Border color
        self.normcolor = black
        self.fill_color = 85/255.0, 170/255.0, 255/255.0 # The fill color, a nice blue

        # This specifies the resolution of the ESP Image. 
        # The total number of ESP data points in the image will number resolution^2. 
        self.resolution = 32 # Keep it small so sim run doesn't take so long. Mark 050930.
        # Show/Hide ESP Image Volume (Bbox).  All atoms inside this volume are used by 
        # the MPQC ESP Plane plug-in to calculate the ESP points.
        self.show_esp_bbox = True
        # the perpendicular (front and back) image offset used to create the depth of the bbox
        self.image_offset = 1.0
        # the edge offset used to create the edge boundary of the bbox
        self.edge_offset = 1.0 
        # opacity, a range between 0-1 where: 0 = fully transparent, 1= fully opaque
        self.opacity = 0.6
        self.image_obj = None # helper object for texture image, or None if no texture is ready [bruce 060207 revised comment]
        self.image_mods = image_mod_record() # accumulated modifications to the file's image [bruce 060210 bugfix]
            ###e need to use self.image_mods in writepov, too, perhaps via a temporary image file
        self.tex_name = None # OpenGL texture name for image_obj, if we have one [bruce 060207 for fixing bug 1059]
        self.espimage_file = '' # ESP Image (png) filename
        self.highlightChecked = False # Flag if highlight is turned on or off
            ###e does this need storing in mmp file? same Q for xaxis_orient, etc. [bruce 060212 comment]
        self.xaxis_orient = 0 # ESP Image X Axis orientation [bruce comment 060212: this is used by external code in files_nh.py]
        self.yaxis_orient = 0 # ESP Image Y Axis orientation
        self.multiplicity = 1 # Multiplicity of atoms within this jig's bbox volume

        self.pickCheckOnly = False #This is used to notify drawing code if it's just for picking purpose
        return
Пример #2
0
    def __init__(self, assy, list, READ_FROM_MMP=False):
        RectGadget.__init__(self, assy, list, READ_FROM_MMP)
        self.assy = assy
        self.color = black  # Border color
        self.normcolor = black
        self.fill_color = 85 / 255.0, 170 / 255.0, 255 / 255.0  # The fill color, a nice blue

        # This specifies the resolution of the ESP Image.
        # The total number of ESP data points in the image will number resolution^2.
        self.resolution = 32  # Keep it small so sim run doesn't take so long. Mark 050930.
        # Show/Hide ESP Image Volume (Bbox).  All atoms inside this volume are used by
        # the MPQC ESP Plane plug-in to calculate the ESP points.
        self.show_esp_bbox = True
        # the perpendicular (front and back) image offset used to create the depth of the bbox
        self.image_offset = 1.0
        # the edge offset used to create the edge boundary of the bbox
        self.edge_offset = 1.0
        # opacity, a range between 0-1 where: 0 = fully transparent, 1= fully opaque
        self.opacity = 0.6
        self.image_obj = None  # helper object for texture image, or None if no texture is ready [bruce 060207 revised comment]
        self.image_mods = image_mod_record(
        )  # accumulated modifications to the file's image [bruce 060210 bugfix]
        ###e need to use self.image_mods in writepov, too, perhaps via a temporary image file
        self.tex_name = None  # OpenGL texture name for image_obj, if we have one [bruce 060207 for fixing bug 1059]
        self.espimage_file = ''  # ESP Image (png) filename
        self.highlightChecked = False  # Flag if highlight is turned on or off
        ###e does this need storing in mmp file? same Q for xaxis_orient, etc. [bruce 060212 comment]
        self.xaxis_orient = 0  # ESP Image X Axis orientation [bruce comment 060212: this is used by external code in files_nh.py]
        self.yaxis_orient = 0  # ESP Image Y Axis orientation
        self.multiplicity = 1  # Multiplicity of atoms within this jig's bbox volume

        self.pickCheckOnly = False  #This is used to notify drawing code if it's just for picking purpose
        return
Пример #3
0
    def __init__(self, assy, list1, READ_FROM_MMP = False):
        RectGadget.__init__(self, assy, list1, READ_FROM_MMP)
        self.assy = assy
        self.color = black # Border color
        self.normcolor = black
        self.fill_color = 85/255.0, 170/255.0, 255/255.0 # a nice blue

        # This specifies the resolution of the ESP Image. The total number of
        # ESP data points in the image will number resolution^2.
        self.resolution = 32 
            # Keep it small so sim run doesn't take so long. Mark 050930.
        self.show_esp_bbox = True
            # Show/Hide ESP Image Volume (Bbox). All atoms inside this volume
            # are used by the MPQC ESP Plane plug-in to calculate the ESP
            # points.
        self.image_offset = 1.0
            # the perpendicular (front and back) image offset used to create
            # the depth of the bbox
        self.edge_offset = 1.0         
            # the edge offset used to create the edge boundary of the bbox
        self.opacity = 0.6 # float, from 0.0 (transparent) to 1.0 (opaque)
        self.image_obj = None 
            # helper object for texture image, or None if no texture is ready
            # [bruce 060207 revised comment]
        self.image_mods = image_mod_record() 
            # accumulated modifications to the file's image [bruce 060210
            # bugfix] ##e need to use self.image_mods in writepov, too, perhaps
            # via a temporary image file
        self.tex_name = None # OpenGL texture name for image_obj, if we have one
            # [bruce 060207 for fixing bug 1059]
        self.espimage_file = '' # ESP Image (png) filename
        self.highlightChecked = False # Flag if highlight is turned on or off
            ###e does this need storing in mmp file? same Q for xaxis_orient,
            ###etc. [bruce 060212 comment]
        self.xaxis_orient = 0 # ESP Image X Axis orientation 
            # [bruce comment 060212: used by external code in files_nh.py]
        self.yaxis_orient = 0 # ESP Image Y Axis orientation
        self.multiplicity = 1 # Multiplicity of atoms within self's bbox volume

        self.pickCheckOnly = False #This is used to notify drawing code if
            # it's just for picking purpose
            ### REVIEW/TODO: understanding how self.pickCheckOnly might be
            # left over from one drawing call to another (potentially causing
            # bugs) is a mess. It needs to be refactored so that it's just an
            # argument to all methods it's passed through. This involves some
            # superclass methods; maybe they can be overridden so the argument
            # is only needed in local methods, I don't know. This is done in
            # several Node classes, so I added this comment to all of them.
            # [bruce 090310 comment]
        return