Vectorizing a for loop with a pandas dataframe - python-3.x

Question

I am trying to do a project for my physics class where we are supposed to simulate motion of charged particles. We are supposed to randomly generate their positions and charges but we have to have positively charged particles in one region and negatively charged ones anywhere else. Right now, as a proof of concept, I am trying to do only 10 particles but the final project will have at least 1000.
My thought process is to create a dataframe with the first column containing the randomly generated charges and run a loop to see what value I get and place in the same dataframe as the next three columns their generated positions.
I have tried to do a simple for loop going over the rows and inputting the data as I go, but I run into an IndexingError: too many indexers. I also want this to run as efficiently as possible so that if I scale up the number of particles, it doesn't slow as much.
I also want to vectorize the operations of calculating the motion of each particle since it is based on position of every other particle which, through normal loops would take a lot of computational time.
Any vectorization optimization or offloading to GPU would be very helpful, thanks.
# In[1]:
import numpy as np
import pandas as pd
import matplotlib.pyplot as plt
from mpl_toolkits import mplot3d
# In[2]:
num_points=10
df_position = pd.DataFrame(pd,np.empty((num_points,4)),columns=['Charge','X','Y','Z'])
# In[3]:
charge = np.array([np.random.choice(2,num_points)])
df_position.iloc[:,0]=np.where(df_position["Charge"]==0,-1,1)
# In[4]:
def positive():
return np.random.uniform(low=0, high=5)
def negative():
return np.random.uniform(low=5, high=10)
# In[5]:
for row in df_position.itertuples(index=True,name='Charge'):
if(getattr(row,"Charge")==-1):
df_position.iloc[row,1]=positive()
df_position.iloc[row,2]=positive()
df_position.iloc[row,3]=positive()
else:
df_position.iloc[row,1]=negative()
#this is where I would get the IndexingError and would like to optimize this portion
df_position.iloc[row,2]=negative()
df_position.iloc[row,3]=negative()
df_position.iloc[:,0]=np.where(df_position["Charge"]==0,-1,1)
# In[6]:
ax=plt.axes(projection='3d')
ax.set_xlim(0, 10); ax.set_ylim(0, 10); ax.set_zlim(0,10);
xdata=df_position.iloc[:,1]
ydata=df_position.iloc[:,2]
zdata=df_position.iloc[:,3]
chargedata=df_position.iloc[:11,0]
colors = np.where(df_position["Charge"]==1,'r','b')
ax.scatter3D(xdata,ydata,zdata,c=colors,alpha=1)
EDIT:
The dataframe that I want the results in would be something like this
Charge X Y Z
-1
1
-1
-1
1
With the inital coordinates of each charge listed after in their respective columns. It will be a 3D dataframe as I will need to track of all their new positions after each time step so that I can do animations of the motion. Each layer will be exactly the same format.

Answer 1

Some code for creating your dataframe:
import numpy as np
import pandas as pd
num_points = 1_000
# uniform distribution of int, not sure it is the best one for your problem
# positive_point = np.random.randint(0, num_points)
positive_point = int(num_points / 100 * np.random.randn() + num_points / 2)
negavite_point = num_points - positive_point
positive_df = pd.DataFrame(
np.random.uniform(0.0, 5.0, size=[positive_point, 3]), index=[1] * positive_point, columns=['X', 'Y', 'Z']
)
negative_df = pd.DataFrame(
np.random.uniform(5.0, 10.0, size=[negavite_point, 3]), index=[-1] *negavite_point, columns=['X', 'Y', 'Z']
)
df = pd.concat([positive_df, negative_df])
It is quite fast for 1,000 or 1,000,000.
Edit: with my first answer, I totally miss a big part of the question. This new one should fit better.
Second edit: I use a better distribution for the number of positive point than a uniform distribution of int.