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remove references to Numeric module. we only support numpy.

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This commit is contained in:
Axel Kohlmeyer
2022-08-09 16:11:09 -04:00
parent 5c589dbe20
commit 111caac960
1 changed files with 4 additions and 14 deletions
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16
tools/python/pizza/dump.py
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@ -189,12 +189,7 @@ import sys, re, glob, types
from os import popen from os import popen
from math import * # any function could be used by set() from math import * # any function could be used by set()
try: import numpy as np
import numpy as np
oldnumeric = False
except:
import Numeric as np
oldnumeric = True
try: from DEFAULTS import PIZZA_GUNZIP try: from DEFAULTS import PIZZA_GUNZIP
except: PIZZA_GUNZIP = "gunzip" except: PIZZA_GUNZIP = "gunzip"
@ -379,9 +374,6 @@ class dump:
for i in range(1,snap.natoms): for i in range(1,snap.natoms):
words += f.readline().decode().split() words += f.readline().decode().split()
floats = map(float,words) floats = map(float,words)
if oldnumeric:
atom_data = np.array(list(floats),np.Float)
else:
atom_data = np.array(list(floats),np.float) atom_data = np.array(list(floats),np.float)
snap.atoms = atom_data.reshape((snap.natoms, ncol)) snap.atoms = atom_data.reshape((snap.natoms, ncol))
@ -858,8 +850,7 @@ class dump:
self.map(ncol+1,str) self.map(ncol+1,str)
for snap in self.snaps: for snap in self.snaps:
atoms = snap.atoms atoms = snap.atoms
if oldnumeric: newatoms = np.zeros((snap.natoms,ncol+1),np.Float) newatoms = np.zeros((snap.natoms,ncol+1),np.float)
else: newatoms = np.zeros((snap.natoms,ncol+1),np.float)
newatoms[:,0:ncol] = snap.atoms newatoms[:,0:ncol] = snap.atoms
snap.atoms = newatoms snap.atoms = newatoms
@ -1018,8 +1009,7 @@ class dump:
# convert values to int and absolute value since can be negative types # convert values to int and absolute value since can be negative types
if oldnumeric: bondlist = np.zeros((nbonds,4),np.Int) bondlist = np.zeros((nbonds,4),np.int)
else: bondlist = np.zeros((nbonds,4),np.int)
ints = [abs(int(value)) for value in words] ints = [abs(int(value)) for value in words]
start = 0 start = 0
stop = 4 stop = 4