def angle_between_vectors(v1, v2):
"""
Calculates the angle between <v1> and <v2>. The result is in the range [0, pi]
On degenerate input (any of the vectors of norm 0) will raise ValueError.
"""
v1 = Vector(v1, copy=False)
v2 = Vector(v2, copy=False)
n1 = v1.norm()
n2 = v2.norm()
if n1 == 0 or n2 == 0:
raise ValueError("Can't calculate angle between zero length vectors !")
cos_a = v1.dot(v2) / (n1 * n2)
cos_a = max(-1.0, min(1.0, cos_a))
return math.acos(cos_a)
class Ellipsoid(Primitive):
def __init__(self, name, center, a, b, c, copy=False):
Primitive.__init__(self, name=name)
self.center = Vector(center, copy=copy)
self.a = Vector(a, copy=copy)
self.b = Vector(b, copy=copy)
self.c = Vector(c, copy=copy)
def __repr__(self):
return "ELL(name={0}, center={1}, a={2}, b={3}, c={4})".format(
self.name, repr(self.center), repr(self.a), repr(self.b), repr(self.c)
)
def __iter__(self):
yield self.center
yield self.a
yield self.b
yield self.c
def update_params(self, params):
params.update({
"center": self.center,
"a": self.a,
"b": self.b,
"c": self.c,
})
def copy(self):
return Ellipsoid(self.name, self.center, self.a, self.b, self.c, copy=True)
def has_same_data(self, other):
return all(map(Vector.is_same, self, other))
def _get_radius(self):
"""
Returns the radius if this is a Sphere, None otherwise.
Can also be used as a test if this is a sphere:
>>> x = Ellipsoid("test", "0, 0, 0", (10, 0, 0), [0, 10, 0], Vector("0, 0, 10"))
>>> x.radius
10.0
>>> x.a = Vector("1, 0, 0")
>>> x.radius is None
True
"""
mag_a = self.a.norm()
mag_b = self.b.norm()
mag_c = self.c.norm()
if np.allclose((mag_a, mag_b), (mag_b, mag_c)):
return mag_a
else:
return None
radius = property(_get_radius)
@staticmethod
def from_wdb(name, data):
return Ellipsoid(
name=name,
center=data.v,
a=data.a,
b=data.b,
c=data.c,
)
class Ellipsoid(Primitive):
def __init__(self, name, center, a, b, c, copy=False):
Primitive.__init__(self, name=name)
self.center = Vector(center, copy=copy)
self.a = Vector(a, copy=copy)
self.b = Vector(b, copy=copy)
self.c = Vector(c, copy=copy)
def __repr__(self):
return "ELL(name={0}, center={1}, a={2}, b={3}, c={4})".format(
self.name, repr(self.center), repr(self.a), repr(self.b),
repr(self.c))
def __iter__(self):
yield self.center
yield self.a
yield self.b
yield self.c
def update_params(self, params):
params.update({
"center": self.center,
"a": self.a,
"b": self.b,
"c": self.c,
})
def copy(self):
return Ellipsoid(self.name,
self.center,
self.a,
self.b,
self.c,
copy=True)
def has_same_data(self, other):
return all(map(Vector.is_same, self, other))
def _get_radius(self):
"""
Returns the radius if this is a Sphere, None otherwise.
Can also be used as a test if this is a sphere:
>>> x = Ellipsoid("test", "0, 0, 0", (10, 0, 0), [0, 10, 0], Vector("0, 0, 10"))
>>> x.radius
10.0
>>> x.a = Vector("1, 0, 0")
>>> x.radius is None
True
"""
mag_a = self.a.norm()
mag_b = self.b.norm()
mag_c = self.c.norm()
if np.allclose((mag_a, mag_b), (mag_b, mag_c)):
return mag_a
else:
return None
radius = property(_get_radius)
@staticmethod
def from_wdb(name, data):
return Ellipsoid(
name=name,
center=data.v,
a=data.a,
b=data.b,
c=data.c,
)
