diff --git a/.gitignore b/.gitignore new file mode 100644 index 0000000..bee8a64 --- /dev/null +++ b/.gitignore @@ -0,0 +1 @@ +__pycache__ diff --git a/src/bdump.py b/src/bdump.py index ac75c04..2a67860 100644 --- a/src/bdump.py +++ b/src/bdump.py @@ -68,11 +68,9 @@ # atoms[i][j] = 2d array of floats, i = 0 to natoms-1, j = 0 to ncols-1 try: - import numpy as np - oldnumeric = False + import numpy as np except: - import Numeric as np - oldnumeric = True + raise Exception("no numpy Python module available") try: from DEFAULTS import PIZZA_GUNZIP except: PIZZA_GUNZIP = "gunzip" @@ -188,8 +186,7 @@ def read_snapshot(self,f): for i in range(1,snap.natoms): words += f.readline().split() floats = list(map(float,words)) - if oldnumeric: atoms = np.zeros((snap.natoms,ncol),np.Float) - else: atoms = np.zeros((snap.natoms,ncol),np.float) + atoms = np.zeros((snap.natoms,ncol),float) start = 0 stop = ncol for i in range(snap.natoms): diff --git a/src/dump.py b/src/dump.py index 6d6280b..5e9f3f4 100644 --- a/src/dump.py +++ b/src/dump.py @@ -191,10 +191,8 @@ try: import numpy as np - oldnumeric = False except: - import Numeric as np - oldnumeric = True + raise Exception("no numpy Python module available") try: from DEFAULTS import PIZZA_GUNZIP except: PIZZA_GUNZIP = "gunzip" @@ -418,8 +416,7 @@ def read_snapshot(self,f): for i in range(1,snap.natoms): words += f.readline().split() floats = list(map(float,words)) - if oldnumeric: atoms = np.zeros((snap.natoms,ncol),np.Float) - else: atoms = np.zeros((snap.natoms,ncol),np.float) + atoms = np.zeros((snap.natoms,ncol),float) start = 0 stop = ncol for i in range(snap.natoms): @@ -887,8 +884,7 @@ def newcolumn(self,str): self.map(ncol+1,str) for snap in self.snaps: atoms = snap.atoms - if oldnumeric: newatoms = np.zeros((snap.natoms,ncol+1),np.Float) - else: newatoms = np.zeros((snap.natoms,ncol+1),np.float) + newatoms = np.zeros((snap.natoms,ncol+1),float) newatoms[:,0:ncol] = snap.atoms snap.atoms = newatoms diff --git a/src/ldump.py b/src/ldump.py index 8660afe..a30d7eb 100644 --- a/src/ldump.py +++ b/src/ldump.py @@ -75,11 +75,9 @@ # atoms[i][j] = 2d array of floats, i = 0 to natoms-1, j = 0 to ncols-1 try: - import numpy as np - oldnumeric = False + import numpy as np except: - import Numeric as np - oldnumeric = True + raise Exception("no numpy Python module available") try: from DEFAULTS import PIZZA_GUNZIP except: PIZZA_GUNZIP = "gunzip" @@ -202,8 +200,7 @@ def read_snapshot(self,f): for i in range(1,snap.natoms): words += f.readline().split() floats = list(map(float,words)) - if oldnumeric: atoms = np.zeros((snap.natoms,ncol),np.Float) - else: atoms = np.zeros((snap.natoms,ncol),np.float) + atoms = np.zeros((snap.natoms,ncol),float) start = 0 stop = ncol for i in range(snap.natoms): diff --git a/src/mdump.py b/src/mdump.py index 714add5..37aa5df 100644 --- a/src/mdump.py +++ b/src/mdump.py @@ -133,11 +133,9 @@ # evalues[i][j] = 2d array of floats, i = 0 to Nel-1, j = 0 to Ncol try: - import numpy as np - oldnumeric = False + import numpy as np except: - import Numeric as np - oldnumeric = True + raise Exception("no numpy Python module available") try: from DEFAULTS import PIZZA_GUNZIP except: PIZZA_GUNZIP = "gunzip" @@ -318,8 +316,7 @@ def read_snapshot(self,f): for i in range(1,n): words += f.readline().split() floats = list(map(float,words)) - if oldnumeric: values = np.zeros((n,ncol),np.Float) - else: values = np.zeros((n,ncol),np.float) + values = np.zeros((n,ncol),float) start = 0 stop = ncol for i in range(n): diff --git a/src/tdump.py b/src/tdump.py index 711551e..b151229 100644 --- a/src/tdump.py +++ b/src/tdump.py @@ -76,11 +76,9 @@ # atoms[i][j] = 2d array of floats, i = 0 to natoms-1, j = 0 to ncols-1 try: - import numpy as np - oldnumeric = False + import numpy as np except: - import Numeric as np - oldnumeric = True + raise Exception("no numpy Python module available") try: from DEFAULTS import PIZZA_GUNZIP except: PIZZA_GUNZIP = "gunzip" @@ -203,8 +201,7 @@ def read_snapshot(self,f): for i in range(1,snap.natoms): words += f.readline().split() floats = list(map(float,words)) - if oldnumeric: atoms = np.zeros((snap.natoms,ncol),np.Float) - else: atoms = np.zeros((snap.natoms,ncol),np.float) + atoms = np.zeros((snap.natoms,ncol),float) start = 0 stop = ncol for i in range(snap.natoms): diff --git a/src/vtk.py b/src/vtk.py index 96c2dc7..83f4590 100644 --- a/src/vtk.py +++ b/src/vtk.py @@ -346,7 +346,8 @@ def particleGran(file,atoms,names,n_values): continue vectortype = 'float' - if atoms != []: + #if atoms != []: + if atoms.size > 0: vectortype = typestr(atoms[0][vectors[key]]) if 'float' in vectortype: vectortype = 'float' elif 'int' in vectortype: vectortype = 'int' @@ -361,7 +362,8 @@ def particleGran(file,atoms,names,n_values): # print SCALARS for key in scalars.keys(): scalartype ='' - if atoms != []: + #if atoms != []: + if atoms.size > 0: scalartype = typestr(atoms[0][scalars[key]]) if 'float' in scalartype: scalartype = 'float' elif 'int' in scalartype: scalartype = 'int'