Code: Alles auswählen
class Vector3D:
def __init__(self):
self.v=[0,0,0]
def fill(self,x=0,y=0,z=0):
self.v[0]=x
self.v[1]=y
self.v[2]=z
return self
def __add__(self,other):
self.v[0]+=other.v[0]
self.v[1]+=other.v[1]
self.v[2]+=other.v[2]
return self
def __sub__(self, other):
self.v[0]-=other.v[0]
self.v[1]-=other.v[1]
self.v[2]-=other.v[2]
return self
def __mul__(self,other):
try:
#other is a vector
self.v[0]=self.v[1]*other.v[2]-self.v[2]*other.v[1]
self.v[1]=self.v[2]*other.v[0]-self.v[0]*other.v[2]
self.v[2]=self.v[0]*other.v[1]-self.v[1]*other.v[0]
except:
#other is a scalar
self.v[0]*=other
self.v[1]*=other
self.v[2]*=other
return self
def length(self):
return(round(sqrt(self.v[0]**2+self.v[1]**2+self.v[2]**2),6))
def normalize(self):
length=self.length()
self.v[0]=self.v[0]/length
self.v[1]=self.v[1]/length
self.v[2]=self.v[2]/length
return self
def show(self):
print "[",self.v[0],"]"
print "[",self.v[1],"]"
print "[",self.v[2],"]"
def __str__(self):
string="["+str(self.v[0])+"]\n["+str(self.v[1])+"]\n["+str(self.v[2])+"]"
return string
def __getitem__(self, index):
try:
return self.v[index]
except:
print "Error index out of range it's a 3D Vector"
def scalarproduct(self,other):
print "not yet implementet"Code: Alles auswählen
...
vec1.fill(2,0,0)
print "Vector mit print"
print vec1
Code vom zweiten modul:
Code: Alles auswählen
...
for i in range(nat):
l=coords[i]
vec=Vector3D()
vec.fill(l[0],l[1],l[2])
molecule.append(vec)
...
for i in range(nat):
print sym[i]
molecule[i].show()#funktioniert
print molecule[i] #funktioniert nicht
...
