def _draw_wedge( self, coords): """returns the polygon item""" x1, y1, x2, y2 = coords # main item x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, self.wedge_width/2.0) xa, ya, xb, yb = geometry.find_parallel( x1, y1, x2, y2, self.line_width/2.0) return [self._create_polygon_with_transform( (xa, ya, x0, y0, 2*x2-x0, 2*y2-y0, 2*x1-xa, 2*y1-ya), width=0, fill=self.line_color, joinstyle="miter")]
def _draw_wedge( self, coords): """returns the polygon item""" x1, y1, x2, y2 = coords # main item x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, self.wedge_width/2.0) xa, ya, xb, yb = geometry.find_parallel( x1, y1, x2, y2, self.line_width/2.0) return [self._create_polygon_with_transform( (xa, ya, x0, y0, 2*x2-x0, 2*y2-y0, 2*x1-xa, 2*y1-ya), width=0, fill=self.line_color, joinstyle="miter")]
def _draw_hatch( self, coords):
"""returns list items"""
if not hasattr( self, 'equithick'):
self.equithick = 0
x1, y1, x2, y2 = coords
# main item
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, self.wedge_width/2.0)
xa, ya, xb, yb = geometry.find_parallel( x1, y1, x2, y2, self.line_width/2.0)
d = math.sqrt( (x1-x2)**2 + (y1-y2)**2) # length of the bond
if d == 0:
return [] # to prevent division by zero
dx1 = (x0 - xa)/d
dy1 = (y0 - ya)/d
dx2 = (2*x2 -x0 -2*x1 +xa)/d
dy2 = (2*y2 -y0 -2*y1 +ya)/d
# params for equithick
dx = (x2 - x1)/d
dy = (y2 - y1)/d
ddx = x - x1
ddy = y - y1
# we have to decide if the first line should be at the position of the first atom
draw_start = 0 # is index not boolean
if not self.atom1.show and self.atom1.occupied_valency > 1:
draw_start = 1
draw_end = 1 # is added to index not boolean
if not self.atom2.show and self.atom2.occupied_valency > 1:
draw_end = 0
# djust the step length
step_size = 2*(self.line_width+1)
ns = round( d / step_size) or 1
step_size = d / ns
# now we finally draw
items = []
for i in range( draw_start, int( round( d/ step_size)) +draw_end):
if self.equithick:
coords = [x1 + i*step_size*dx + ddx, y1 + i*step_size*dy + ddy, x1 + i*step_size*dx - ddx, y1 + i*step_size*dy - ddy]
if coords[0] == coords[2] and coords[1] == coords[3]:
if (dx1+dx2) > (dy1+dy2):
coords[0] += 1
else:
coords[1] += 1
else: # real wedge, not "equithick"
coords = [xa+dx1*i*step_size, ya+dy1*i*step_size, 2*x1-xa+dx2*i*step_size, 2*y1-ya+dy2*i*step_size]
if coords[0] == coords[2] and coords[1] == coords[3]:
if (dx1+dx2) > (dy1+dy2):
coords[0] += 1
else:
coords[1] += 1
items.append( self._create_line_with_transform( coords, width=self.line_width, fill=self.line_color))
return items
def _draw_hatch( self, coords):
"""returns list items"""
if not hasattr( self, 'equithick'):
self.equithick = 0
x1, y1, x2, y2 = coords
# main item
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, self.wedge_width/2.0)
xa, ya, xb, yb = geometry.find_parallel( x1, y1, x2, y2, self.line_width/2.0)
d = math.sqrt( (x1-x2)**2 + (y1-y2)**2) # length of the bond
if d == 0:
return [] # to prevent division by zero
dx1 = (x0 - xa)/d
dy1 = (y0 - ya)/d
dx2 = (2*x2 -x0 -2*x1 +xa)/d
dy2 = (2*y2 -y0 -2*y1 +ya)/d
# params for equithick
dx = (x2 - x1)/d
dy = (y2 - y1)/d
ddx = x - x1
ddy = y - y1
# we have to decide if the first line should be at the position of the first atom
draw_start = 0 # is index not boolean
if not self.atom1.show and self.atom1.occupied_valency > 1:
draw_start = 1
draw_end = 1 # is added to index not boolean
if not self.atom2.show and self.atom2.occupied_valency > 1:
draw_end = 0
# djust the step length
step_size = 2*(self.line_width+1)
ns = round( d / step_size) or 1
step_size = d / ns
# now we finally draw
items = []
for i in range( draw_start, int( round( d/ step_size)) +draw_end):
if self.equithick:
coords = [x1 + i*step_size*dx + ddx, y1 + i*step_size*dy + ddy, x1 + i*step_size*dx - ddx, y1 + i*step_size*dy - ddy]
if coords[0] == coords[2] and coords[1] == coords[3]:
if (dx1+dx2) > (dy1+dy2):
coords[0] += 1
else:
coords[1] += 1
else: # real wedge, not "equithick"
coords = [xa+dx1*i*step_size, ya+dy1*i*step_size, 2*x1-xa+dx2*i*step_size, 2*y1-ya+dy2*i*step_size]
if coords[0] == coords[2] and coords[1] == coords[3]:
if (dx1+dx2) > (dy1+dy2):
coords[0] += 1
else:
coords[1] += 1
items.append( self._create_line_with_transform( coords, width=self.line_width, fill=self.line_color))
return items
def draw( self):
if self.items:
warnings.warn( "draw called on already drawn mark!", UserWarning, 2)
self.delete()
s = round( self.size / 2)
x1, y1, x2, y2 = self.x, self.y, self.atom.x, self.atom.y
# one end
x, y = geometry.find_parallel( x1, y1, x2, y2, s)[0:2]
# and the other
x0, y0 = geometry.find_parallel( x1, y1, x2, y2, -s)[0:2]
self.items = [self.paper.create_line( x, y, x0, y0, fill=self.line_color,
width=self.line_width, tags='mark')]
def _draw_second_line( self, coords):
my_x1, my_y1 = self.atom1.get_xy()
my_x2, my_y2 = self.atom2.get_xy()
my_coords = (my_x1,my_y1,my_x2,my_y2)
x, y, x0, y0 = coords
# shortening of the second bond
dx = x-x0
dy = y-y0
if self.center:
_k = 0
else:
_k = (1-self.double_length_ratio)/2
x, y, x0, y0 = x-_k*dx, y-_k*dy, x0+_k*dx, y0+_k*dy
# shift according to the bonds arround
side = geometry.on_which_side_is_point( my_coords, (x,y))
for atom in (self.atom1,self.atom2):
second_atom = atom is self.atom1 and self.atom2 or self.atom1
neighs = [n for n in atom.neighbors if geometry.on_which_side_is_point( my_coords, n.get_xy())==side and n is not second_atom]
for n in neighs:
dist2 = _k*geometry.point_distance(*my_coords)*geometry.on_which_side_is_point((atom.x, atom.y, n.x, n.y), (second_atom.x, second_atom.y))
xn1, yn1, xn2, yn2 = geometry.find_parallel( atom.x, atom.y, n.x, n.y, dist2)
xp,yp,parallel,online = geometry.intersection_of_two_lines( x,y,x0,y0,xn1,yn1,xn2,yn2)
if not parallel:
if not geometry.is_point_beween_points_of_line( (x,y,x0,y0),(xp,yp)):
# only shorten the line - do not elongate it
continue
if geometry.point_distance( atom.x,atom.y,x,y) < geometry.point_distance( atom.x,atom.y,x0,y0):
x,y = xp, yp
else:
x0,y0 = xp, yp
else:
# parallel
pass
return [self._create_line_with_transform( (x, y, x0, y0), width=self.line_width, fill=self.line_color)]
def draw( self):
if self.items:
warnings.warn( "draw called on already drawn mark!", UserWarning, 2)
self.delete()
s = round( self.size / 2)
x1, y1, x2, y2 = self.x, self.y, self.atom.x, self.atom.y
x, y = geometry.find_parallel( x1, y1, x2, y2, s*1.5)[0:2]
# one circle
self.items = [self.paper.create_oval( x-s, y-s, x+s, y+s,
fill=self.line_color, outline=self.line_color,
tags='mark')]
# and the second on the other side
x, y = geometry.find_parallel( x1, y1, x2, y2, -s*1.5)[0:2]
self.items.append( self.paper.create_oval( x-s, y-s, x+s, y+s,
fill=self.line_color, outline=self.line_color,
tags='mark'))
def _draw_a2( self):
if self.center is None or self.bond_width is None:
self._decide_distance_and_center()
d = self.bond_width
# double
if self.center:
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
self.paper.itemconfig( self.item, fill='')
d = int( round( d/3))
else:
where = self._draw_a1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d)
# gray magic (not black, but not so white :)
_second_draw_method = (self.simple_double and not self.center) and self._draw_second_line or self._draw_adder
self.second = _second_draw_method( (x,y,x0,y0))
if self.center:
self.third = _second_draw_method( (2*x1-x, 2*y1-y, 2*x2-x0, 2*y2-y0))
def _draw_second_line( self, coords):
my_x1, my_y1 = self.atom1.get_xy()
my_x2, my_y2 = self.atom2.get_xy()
my_coords = (my_x1,my_y1,my_x2,my_y2)
x, y, x0, y0 = coords
# shortening of the second bond
dx = x-x0
dy = y-y0
if self.center:
_k = 0
else:
_k = (1-self.double_length_ratio)/2
x, y, x0, y0 = x-_k*dx, y-_k*dy, x0+_k*dx, y0+_k*dy
# shift according to the bonds arround
side = geometry.on_which_side_is_point( my_coords, (x,y))
for atom in (self.atom1,self.atom2):
second_atom = atom is self.atom1 and self.atom2 or self.atom1
neighs = [n for n in atom.neighbors if geometry.on_which_side_is_point( my_coords, n.get_xy())==side and n is not second_atom]
for n in neighs:
dist2 = _k*geometry.point_distance(*my_coords)*geometry.on_which_side_is_point((atom.x, atom.y, n.x, n.y), (second_atom.x, second_atom.y))
xn1, yn1, xn2, yn2 = geometry.find_parallel( atom.x, atom.y, n.x, n.y, dist2)
xp,yp,parallel,online = geometry.intersection_of_two_lines( x,y,x0,y0,xn1,yn1,xn2,yn2)
if not parallel:
if not geometry.is_point_beween_points_of_line( (x,y,x0,y0),(xp,yp)):
# only shorten the line - do not elongate it
continue
if geometry.point_distance( atom.x,atom.y,x,y) < geometry.point_distance( atom.x,atom.y,x0,y0):
x,y = xp, yp
else:
x0,y0 = xp, yp
else:
# parallel
pass
return [self._create_line_with_transform( (x, y, x0, y0), width=self.line_width, fill=self.line_color)]
def _draw_a2( self):
if self.center == None or self.bond_width == None:
self._decide_distance_and_center()
d = self.bond_width
# double
if self.center:
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
self.paper.itemconfig( self.item, fill='')
d = int( round( d/3))
else:
where = self._draw_a1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d)
# gray magic (not black, but not so white :)
_second_draw_method = (self.simple_double and not self.center) and self._draw_second_line or self._draw_adder
self.second = _second_draw_method( (x,y,x0,y0))
if self.center:
self.third = _second_draw_method( (2*x1-x, 2*y1-y, 2*x2-x0, 2*y2-y0))
def _draw_a3( self):
where = self._draw_a1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
if self.bond_width == None:
self._decide_distance_and_center()
d = self.bond_width
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d)
# gray magic (not black, but not so white :)
_second_draw_method = (self.simple_double and not self.center) and self._draw_second_line or self._draw_adder
self.second = _second_draw_method( (x,y,x0,y0))
self.third = _second_draw_method( (2*x1-x, 2*y1-y, 2*x2-x0, 2*y2-y0))
def _draw_a3( self):
where = self._draw_a1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
if self.bond_width is None:
self._decide_distance_and_center()
d = self.bond_width
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d)
# gray magic (not black, but not so white :)
_second_draw_method = (self.simple_double and not self.center) and self._draw_second_line or self._draw_adder
self.second = _second_draw_method( (x,y,x0,y0))
self.third = _second_draw_method( (2*x1-x, 2*y1-y, 2*x2-x0, 2*y2-y0))
def _draw_adder( self, coords):
"""returns list items"""
if not hasattr( self, 'equithick'):
self.equithick = 0
x1, y1, x2, y2 = coords
# main item
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, self.wedge_width/2.0)
d = math.sqrt( (x1-x2)**2 + (y1-y2)**2) # length of the bond
if self.equithick:
step_size = 1.8*self.line_width
else:
step_size = self.line_width+1
dx1 = (x0 - x1)/d
dy1 = (y0 - y1)/d
dx2 = (2*x2 -x0 -x1)/d
dy2 = (2*y2 -y0 -y1)/d
# params for equithick
dx = (x2 - x1)/d
dy = (y2 - y1)/d
ddx = x - x1
ddy = y - y1
coords2 = []
coords2.extend((x1, y1))
for i in range( 0, int( round( d/ step_size))+1):
if self.equithick:
coords = [x1+dx*i*step_size+ddx, y1+dy*i*step_size+ddy, x1+dx*i*step_size-ddx, y1+dy*i*step_size-ddy]
else:
coords = [x1+dx1*i*step_size, y1+dy1*i*step_size, x1+dx2*i*step_size, y1+dy2*i*step_size]
if (coords[0] == coords[2] and coords[1] == coords[3]) and not self.equithick:
if (dx1+dx2) > (dy1+dy2):
coords[0] += 1
else:
coords[1] += 1
if i % 2:
coords2.extend((coords[0], coords[1]))
else:
coords2.extend((coords[2], coords[3]))
coords2.extend((x2, y2))
if self.equithick:
return [self._create_line_with_transform( coords2, width=self.line_width, fill=self.line_color, smooth=1)]
else:
return [self._create_line_with_transform( coords2, width=self.line_width, fill=self.line_color)]
def _draw_adder( self, coords):
"""returns list items"""
if not hasattr( self, 'equithick'):
self.equithick = 0
x1, y1, x2, y2 = coords
# main item
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, self.wedge_width/2.0)
d = math.sqrt( (x1-x2)**2 + (y1-y2)**2) # length of the bond
if self.equithick:
step_size = 1.8*self.line_width
else:
step_size = self.line_width+1
dx1 = (x0 - x1)/d
dy1 = (y0 - y1)/d
dx2 = (2*x2 -x0 -x1)/d
dy2 = (2*y2 -y0 -y1)/d
# params for equithick
dx = (x2 - x1)/d
dy = (y2 - y1)/d
ddx = x - x1
ddy = y - y1
coords2 = []
coords2.extend((x1, y1))
for i in range( 0, int( round( d/ step_size))+1):
if self.equithick:
coords = [x1+dx*i*step_size+ddx, y1+dy*i*step_size+ddy, x1+dx*i*step_size-ddx, y1+dy*i*step_size-ddy]
else:
coords = [x1+dx1*i*step_size, y1+dy1*i*step_size, x1+dx2*i*step_size, y1+dy2*i*step_size]
if (coords[0] == coords[2] and coords[1] == coords[3]) and not self.equithick:
if (dx1+dx2) > (dy1+dy2):
coords[0] += 1
else:
coords[1] += 1
if i % 2:
coords2.extend((coords[0], coords[1]))
else:
coords2.extend((coords[2], coords[3]))
coords2.extend((x2, y2))
if self.equithick:
return [self._create_line_with_transform( coords2, width=self.line_width, fill=self.line_color, smooth=1)]
else:
return [self._create_line_with_transform( coords2, width=self.line_width, fill=self.line_color)]
def _draw_n2( self):
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
if self.center == None or self.bond_width == None:
self._decide_distance_and_center()
d = self.bond_width
# double
if self.center:
self.paper.itemconfig( self.item, fill='')
# d = int( round( d/3)) #MB#
d = round(d*.4) #MB#+
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d)
self.second = self._draw_second_line( [x, y, x0, y0])
if self.center:
self.third = self._draw_second_line( (2*x1-x, 2*y1-y, 2*x2-x0, 2*y2-y0))
def _draw_n2( self):
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
if self.center is None or self.bond_width is None:
self._decide_distance_and_center()
d = self.bond_width
# double
if self.center:
self.paper.itemconfig( self.item, fill='')
# d = int( round( d/3)) #MB#
d = round(d*.4) #MB#+
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d)
self.second = self._draw_second_line( [x, y, x0, y0])
if self.center:
self.third = self._draw_second_line( (2*x1-x, 2*y1-y, 2*x2-x0, 2*y2-y0))
def _draw_n3( self):
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
if self.atom1.show and self.atom2.show:
# both atoms are shown - we don't want round edges at the ends of the central bond
# and we don't want to apply shortening of other lines
self.paper.itemconfig( self.item, capstyle="butt")
_k = 0
else:
_k = (1-self.double_length_ratio)/2
x1, y1, x2, y2 = where
if self.bond_width == None:
self._decide_distance_and_center()
d = self.bond_width
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d*3/4)
self.second = self._draw_second_line( [x, y, x0, y0])
self.third = self._draw_second_line( (2*x1-x, 2*y1-y, 2*x2-x0, 2*y2-y0))
def _draw_n3( self):
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
if self.atom1.show and self.atom2.show:
# both atoms are shown - we don't want round edges at the ends of the central bond
# and we don't want to apply shortening of other lines
self.paper.itemconfig( self.item, capstyle="butt")
_k = 0
else:
_k = (1-self.double_length_ratio)/2
x1, y1, x2, y2 = where
if self.bond_width is None:
self._decide_distance_and_center()
d = self.bond_width
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d*3/4)
self.second = self._draw_second_line( [x, y, x0, y0])
self.third = self._draw_second_line( (2*x1-x, 2*y1-y, 2*x2-x0, 2*y2-y0))
def _draw_o2( self):
if self.center is None or self.bond_width is None:
self._decide_distance_and_center()
d = self.bond_width
# double
if self.center:
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
self.paper.itemconfig( self.item, fill='')
d = int( round( d/3))
else:
if self.simple_double:
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
else:
where = self._draw_o1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d)
# shortening of the second bond
dx = x-x0
dy = y-y0
if self.center:
_k = 0
else:
_k = (1-self.double_length_ratio)/2
self.second = self._draw_dotted(( x-_k*dx, y-_k*dy, x0+_k*dx, y0+_k*dy))
if self.center:
self.third = self._draw_dotted(( 2*x1-x, 2*y1-y, 2*x2-x0, 2*y2-y0))
def _draw_o2( self):
if self.center == None or self.bond_width == None:
self._decide_distance_and_center()
d = self.bond_width
# double
if self.center:
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
self.paper.itemconfig( self.item, fill='')
d = int( round( d/3))
else:
if self.simple_double:
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
else:
where = self._draw_o1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d)
# shortening of the second bond
dx = x-x0
dy = y-y0
if self.center:
_k = 0
else:
_k = (1-self.double_length_ratio)/2
self.second = self._draw_dotted(( x-_k*dx, y-_k*dy, x0+_k*dx, y0+_k*dy))
if self.center:
self.third = self._draw_dotted(( 2*x1-x, 2*y1-y, 2*x2-x0, 2*y2-y0))
def _draw_o3( self):
if self.simple_double:
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
else:
where = self._draw_o1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
if self.bond_width == None:
self._decide_distance_and_center()
d = self.bond_width
# we don't want to shorten the bonds (yet)
_k = (1-self.double_length_ratio)/2
_k = 0
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d*3/4)
dx = x-x0
dy = y-y0
self.second = self._draw_dotted(( x-_k*dx, y-_k*dy, x0+_k*dx, y0+_k*dy))
self.third = self._draw_dotted(( 2*x1-x-_k*dx, 2*y1-y-_k*dy, 2*x2-x0+_k*dx, 2*y2-y0+_k*dy))
def _draw_o3( self):
if self.simple_double:
where = self._draw_n1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
else:
where = self._draw_o1()
if not where:
# the bond is too short to draw it
return None
x1, y1, x2, y2 = where
if self.bond_width is None:
self._decide_distance_and_center()
d = self.bond_width
# we don't want to shorten the bonds (yet)
_k = (1-self.double_length_ratio)/2
_k = 0
x, y, x0, y0 = geometry.find_parallel( x1, y1, x2, y2, d*3/4)
dx = x-x0
dy = y-y0
self.second = self._draw_dotted(( x-_k*dx, y-_k*dy, x0+_k*dx, y0+_k*dy))
self.third = self._draw_dotted(( 2*x1-x-_k*dx, 2*y1-y-_k*dy, 2*x2-x0+_k*dx, 2*y2-y0+_k*dy))
