Commit 3f727e6e authored by Germain Clavier's avatar Germain Clavier
Browse files

More changes from python2 to python3... keep faith Germain!

parent 2a291c74

src/mdump.py

+883 −781

File changed.

Preview size limit exceeded, changes collapsed.

src/olog.py

+282 −255
Original line number Diff line number Diff line
@@ -5,12 +5,26 @@ 
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains

# certain rights in this software.  This software is distributed under

# the GNU General Public License.



#

# olog tool

#

# History

#   1/06, Steve Plimpton (SNL): original version

#   2/09, modified to allow different firststr for different log files

#

# ToDo list

#

# Variables

#   nvec = # of vectors

#   nlen = length of each vector

#   names = list of vector names

#   ptr = dictionary, key = name, value = index into data for which column

#   data[i][j] = 2d array of floats, i = 0 to # of entries, j = 0 to nvecs-1

#   firststr = string that begins a time-series section in log file



oneline = "Read other log files (ChemCell, SPPARKS, SPARTA) and extract time-series data"

"""

Read other log files (ChemCell, SPPARKS, SPARTA) and extract time-series data



docstr = """

o = olog("file1")                    read in one or more log files

o = olog("log1 log2.gz")             can be gzipped

o = olog("file*")                    wildcard expands to multiple files
@@ -32,35 +46,27 @@ o.write("file.txt","A","B",...) write listed vectors to a file 
  get and write allow abbreviated (uniquely) vector names

"""



# History

#   1/06, Steve Plimpton (SNL): original version

#   2/09, modified to allow different firststr for different log files



# ToDo list



# Variables

#   nvec = # of vectors

#   nlen = length of each vector

#   names = list of vector names

#   ptr = dictionary, key = name, value = index into data for which column

#   data[i][j] = 2d array of floats, i = 0 to # of entries, j = 0 to nvecs-1

#   firststr = string that begins a time-series section in log file



# Imports and external programs



import sys, re, glob

from os import popen

import sys

import re

import glob

import os



try: tmp = PIZZA_GUNZIP

except: PIZZA_GUNZIP = "gunzip"

try:

    tmp = PIZZA_GUNZIP

except (NameError, ModuleNotFoundError, ImportError):

    PIZZA_GUNZIP = "gunzip"



# Class definition





class olog:



    # --------------------------------------------------------------------



  def __init__(self,*list):

    def __init__(self, *args):

        self.nvec = 0

        self.names = []

        self.ptr = {}
@@ -70,14 +76,17 @@ class olog: 


        # flist = list of all log file names



    words = list[0].split()

        words = args[0].split()

        self.flist = []

    for word in words: self.flist += glob.glob(word)

        for word in words:

            self.flist += glob.glob(word)

        if len(self.flist) == 0 and len(list) == 1:

      raise StandardError,"no log file specified"

            sys.exit("no log file specified")



    if len(list) > 1 and len(list[1]): self.firststr = list[1]

    if len(list) == 3: self.ave = 1

        if len(args) > 1 and len(args[1]):

            self.firststr = args[1]

        if len(args) == 3:

            self.ave = 1



        self.read_all()
@@ -86,12 +95,14 @@ class olog: 


    def read_all(self):

        self.read_header(self.flist[0])

    if self.nvec == 0: raise StandardError,"log file has no values"

        if self.nvec == 0:

            sys.exit("log file has no values")



        # read all files



    for file in self.flist: self.read_one(file)

    print

        for file in self.flist:

            self.read_one(file)

        print()



        # if no average, sort entries by timestep, cull duplicates

        # if average, call self.average()
@@ -99,21 +110,22 @@ class olog: 
        if self.ave == 0:

            self.data.sort(self.compare)

            self.cull()

    else: self.average()

        else:

            self.average()



        self.nlen = len(self.data)

    print "read %d log entries" % self.nlen

        print("read %d log entries" % self.nlen)



    # --------------------------------------------------------------------



    def get(self, *keys):

        if len(keys) == 0:

      raise StandardError, "no log vectors specified"

            sys.exit("no log vectors specified")



    map = []

        keylist = []

        for key in keys:

      if self.ptr.has_key(key):

        map.append(self.ptr[key])

            if key in self.ptr:

                keylist.append(self.ptr[key])

            else:

                count = 0

                for i in range(self.nvec):
@@ -121,27 +133,29 @@ class olog: 
                        count += 1

                        index = i

                if count == 1:

          map.append(index)

                    keylist.append(index)

                else:

          raise StandardError, "unique log vector %s not found" % key

                    sys.exit("unique log vector %s not found" % key)



        vecs = []

        for i in range(len(keys)):

            vecs.append(self.nlen * [0])

      for j in xrange(self.nlen):

        vecs[i][j] = self.data[j][map[i]]

            for j in range(self.nlen):

                vecs[i][j] = self.data[j][keylist[i]]



    if len(keys) == 1: return vecs[0]

    else: return vecs

        if len(keys) == 1:

            return vecs[0]

        else:

            return vecs



    # --------------------------------------------------------------------



    def write(self, filename, *keys):

        if len(keys):

      map = []

            keylist = []

            for key in keys:

        if self.ptr.has_key(key):

          map.append(self.ptr[key])

                if key in self.ptr:

                    keylist.append(self.ptr[key])

                else:

                    count = 0

                    for i in range(self.nvec):
@@ -149,17 +163,16 @@ class olog: 
                            count += 1

                            index = i

                    if count == 1:

            map.append(index)

                        keylist.append(index)

                    else:

            raise StandardError, "unique log vector %s not found" % key

                        sys.exit("unique log vector %s not found" % key)

        else:

      map = range(self.nvec)

            keylist = range(self.nvec)



        f = open(filename, "w")

    for i in xrange(self.nlen):

      for j in xrange(len(map)):

        print >>f,self.data[i][map[j]],

      print >>f

        for i in range(self.nlen):

            for j in range(len(keylist)):

                f.write("{}\n".format(self.data[i][map[j]]))

        f.close()



    # --------------------------------------------------------------------
@@ -177,8 +190,10 @@ class olog: 
    def cull(self):

        i = 1

        while i < len(self.data):

      if self.data[i][0] == self.data[i-1][0]: del self.data[i]

      else: i += 1

            if self.data[i][0] == self.data[i - 1][0]:

                del self.data[i]

            else:

                i += 1



    # --------------------------------------------------------------------
@@ -189,18 +204,20 @@ class olog: 


        i = j = 0

        while i < len(self.data):

      if self.data[i][0] == 0: j = 0

            if self.data[i][0] == 0:

                j = 0

            if j >= nlen:

                counts.append(0)

                data.append(self.nvec * [0])

                nlen += 1

            counts[j] += 1

      for m in xrange(self.nvec): data[j][m] += self.data[i][m]

            for m in range(self.nvec):

                data[j][m] += self.data[i][m]

            j += 1

            i += 1



    for i in xrange(nlen):

      for j in xrange(self.nvec):

        for i in range(nlen):

            for j in range(self.nvec):

                data[i][j] /= counts[j]



        self.nlen = nlen
@@ -210,7 +227,7 @@ class olog: 


    def read_header(self, file):

        if file[-3:] == ".gz":

      txt = popen("%s -c %s" % (PIZZA_GUNZIP,file),'r').read()

            txt = popen("%s -c %s" % (PIZZA_GUNZIP, file), "r").read()

        else:

            txt = open(file).read()
@@ -226,21 +243,24 @@ class olog: 


    # --------------------------------------------------------------------



  def read_one(self,*list):

    def read_one(self, *args):



        # if 2nd arg exists set file ptr to that value

        # read entire (rest of) file into txt



    file = list[0]

        file = args[0]

        if file[-3:] == ".gz":

      f = popen("%s -c %s" % (PIZZA_GUNZIP,file),'rb')

            f = popen("%s -c %s" % (PIZZA_GUNZIP, file), "rb")

        else:

      f = open(file,'rb')

            f = open(file, "rb")



    if len(list) == 2: f.seek(list[1])

        if len(args) == 2:

            f.seek(args[1])

        txt = f.read()

    if file[-3:] == ".gz": eof = 0

    else: eof = f.tell()

        if file[-3:] == ".gz":

            eof = 0

        else:

            eof = f.tell()

        f.close()



        start = last = 0
@@ -256,23 +276,29 @@ class olog: 
            s1 = txt.find(self.firststr, start)

            s2 = txt.find("Loop time of", start + 1)



      if s1 >= 0 and s2 >= 0 and s1 < s2:    # found s1,s2 with s1 before s2

            # found s1,s2 with s1 before s2

            if s1 >= 0 and s2 >= 0 and s1 < s2:

                s1 = txt.find("\n", s1) + 1

      elif s1 >= 0 and s2 >= 0 and s2 < s1:  # found s1,s2 with s2 before s1

            # found s1,s2 with s2 before s1

            elif s1 >= 0 and s2 >= 0 and s2 < s1:

                s1 = 0

      elif s1 == -1 and s2 >= 0:             # found s2, but no s1

            # found s2, but no s1

            elif s1 == -1 and s2 >= 0:

                last = 1

                s1 = 0

      elif s1 >= 0 and s2 == -1:             # found s1, but no s2

            # found s1, but no s2

            elif s1 >= 0 and s2 == -1:

                last = 1

                s1 = txt.find("\n", s1) + 1

                s2 = txt.rfind("\n", s1) + 1

                eof -= len(txt) - s2

      elif s1 == -1 and s2 == -1:            # found neither

            # found neither

            # could be end-of-file section

            # or entire read was one chunk

            elif s1 == -1 and s2 == -1:



        if txt.find("Loop time of",start) == start:   # end of file, so exit

                # end of file, so exit

                if txt.find("Loop time of", start) == start:

                    eof -= len(txt) - start  # reset eof to "Loop"

                    break
@@ -280,7 +306,8 @@ class olog: 
                s1 = 0

                s2 = txt.rfind("\n", s1) + 1

                eof -= len(txt) - s2

	if s1 == s2: break

                if s1 == s2:

                    break



            chunk = txt[s1:s2-1]

            start = s2
@@ -295,7 +322,7 @@ class olog: 


            # print last timestep of chunk



      print int(self.data[len(self.data)-1][0]),

            print(int(self.data[len(self.data) - 1][0]))

            sys.stdout.flush()



        return eof

src/pair.py

+259 −230
Original line number Diff line number Diff line
@@ -5,12 +5,19 @@ 
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains

# certain rights in this software.  This software is distributed under

# the GNU General Public License.



#

# pair tool

#

# History

#   8/05, Steve Plimpton and Paul Crozier (SNL): original version

#   9/05, Paul Crozier (SNL): added lj/cut and lj/cut/coul/cut

#

# ToDo list

#

# Variables



oneline = "Compute LAMMPS pairwise energies"



docstr = """

"""

Compute LAMMPS pairwise energies

p = pair("lj/charmm/coul/charmm")   create pair object for specific pair style



  available styles: lj/cut, lj/cut/coul/cut, lj/charmm/coul/charmm
@@ -33,20 +40,15 @@ e_vdwl,e_coul = p.single(rsq,itype,jtype,q1,q2,...) compute LJ/Coul energy 
    lj/charmm/coul/charmm = rsq,itype,jtype,q1,q2

"""



# History

#   8/05, Steve Plimpton and Paul Crozier (SNL): original version

#   9/05, Paul Crozier (SNL): added lj/cut and lj/cut/coul/cut



# ToDo list



# Variables



# Imports and external programs



from math import sqrt

import sys

from numpy import sqrt



# Class definition





class pair:



    # --------------------------------------------------------------------
@@ -68,7 +70,7 @@ class pair: 
            self.init_func = self.init_lj_charmm_coul_charmm

            self.single_func = self.single_lj_charmm_coul_charmm

        else:

      raise StandardError, "this pair style not yet supported"

            sys.exit("this pair style not yet supported")



    # --------------------------------------------------------------------

    # generic coeff method
@@ -79,14 +81,14 @@ class pair: 
    # --------------------------------------------------------------------

    # generic init method, as many args as needed



  def init(self,*list):

    self.init_func(list)

    def init(self, *args):

        self.init_func(args)



    # --------------------------------------------------------------------

    # generic single method, as many args as needed



  def single(self,*list):

    return self.single_func(list)

    def single(self, *args):

        return self.single_func(args)



    # --------------------------------------------------------------------

    # --------------------------------------------------------------------
@@ -99,36 +101,40 @@ class pair: 


        self.lj3 = []

        self.lj4 = []

    for i in xrange(ntypes):

        for i in range(ntypes):

            self.lj3.append(ntypes * [0])

            self.lj4.append(ntypes * [0])

      for j in xrange(ntypes):

            for j in range(ntypes):

                epsilon_ij = sqrt(epsilon[i] * epsilon[j])

                sigma_ij = sqrt(sigma[i] * sigma[j])

        self.lj3[i][j] = 4.0 * epsilon_ij * pow(sigma_ij,12.0);

        self.lj4[i][j] = 4.0 * epsilon_ij * pow(sigma_ij,6.0);

                self.lj3[i][j] = 4.0 * epsilon_ij * pow(sigma_ij, 12.0)

                self.lj4[i][j] = 4.0 * epsilon_ij * pow(sigma_ij, 6.0)



    # --------------------------------------------------------------------

    # args = cutlj



  def init_lj_cut(self,list):

    cut_lj = list[0]

    def init_lj_cut(self, args):

        cut_lj = args[0]

        self.cut_ljsq = cut_lj * cut_lj



    # --------------------------------------------------------------------

    # args = rsq,itype,jtype



  def single_lj_cut(self,list):

    rsq = list[0]

    itype = list[1]

    jtype = list[2]

    def single_lj_cut(self, args):

        rsq = args[0]

        itype = args[1]

        jtype = args[2]



        r2inv = 1.0 / rsq



        if rsq < self.cut_ljsq:

            r6inv = r2inv * r2inv * r2inv

      eng_vdwl = r6inv*(self.lj3[itype][jtype]*r6inv-self.lj4[itype][jtype])

    else: eng_vdwl = 0.0

            eng_vdwl = r6inv * (

                    self.lj3[itype][jtype] * r6inv

                    - self.lj4[itype][jtype]

                    )

        else:

            eng_vdwl = 0.0



        return eng_vdwl
@@ -143,46 +149,54 @@ class pair: 


        self.lj3 = []

        self.lj4 = []

    for i in xrange(ntypes):

        for i in range(ntypes):

            self.lj3.append(ntypes * [0])

            self.lj4.append(ntypes * [0])

      for j in xrange(ntypes):

            for j in range(ntypes):

                epsilon_ij = sqrt(epsilon[i] * epsilon[j])

                sigma_ij = sqrt(sigma[i] * sigma[j])

        self.lj3[i][j] = 4.0 * epsilon_ij * pow(sigma_ij,12.0);

        self.lj4[i][j] = 4.0 * epsilon_ij * pow(sigma_ij,6.0);

                self.lj3[i][j] = 4.0 * epsilon_ij * pow(sigma_ij, 12.0)

                self.lj4[i][j] = 4.0 * epsilon_ij * pow(sigma_ij, 6.0)



    # --------------------------------------------------------------------

    # args = cutlj, cut_coul (cut_coul optional)



  def init_lj_cut_coul_cut(self,list):

    def init_lj_cut_coul_cut(self, args):

        self.qqr2e = 332.0636  # convert energy to kcal/mol

    cut_lj = list[0]

        cut_lj = args[0]

        self.cut_ljsq = cut_lj * cut_lj



    if len(list) == 1: cut_coul = cut_lj

    else: cut_coul = list[1]

        if len(args) == 1:

            cut_coul = cut_lj

        else:

            cut_coul = args[1]

        self.cut_coulsq = cut_coul * cut_coul



    # --------------------------------------------------------------------

    # args = rsq,itype,jtype,q1,q2



  def single_lj_cut_coul_cut(self,list):

    rsq = list[0]

    itype = list[1]

    jtype = list[2]

    q1 = list[3]

    q2 = list[4]

    def single_lj_cut_coul_cut(self, args):

        rsq = args[0]

        itype = args[1]

        jtype = args[2]

        q1 = args[3]

        q2 = args[4]



        r2inv = 1.0 / rsq



    if rsq < self.cut_coulsq: eng_coul = self.qqr2e * q1*q2*sqrt(r2inv)

    else: eng_coul = 0.0

        if rsq < self.cut_coulsq:

            eng_coul = self.qqr2e * q1 * q2 * sqrt(r2inv)

        else:

            eng_coul = 0.0



        if rsq < self.cut_ljsq:

            r6inv = r2inv * r2inv * r2inv

      eng_vdwl = r6inv*(self.lj3[itype][jtype]*r6inv-self.lj4[itype][jtype])

    else: eng_vdwl = 0.0

            eng_vdwl = r6inv * (

                    self.lj3[itype][jtype] * r6inv

                    - self.lj4[itype][jtype]

                    )

        else:

            eng_vdwl = 0.0



        return eng_coul, eng_vdwl
@@ -197,71 +211,86 @@ class pair: 


        self.lj3 = []

        self.lj4 = []

    for i in xrange(ntypes):

        for i in range(ntypes):

            self.lj3.append(ntypes * [0])

            self.lj4.append(ntypes * [0])

      for j in xrange(ntypes):

            for j in range(ntypes):

                epsilon_ij = sqrt(epsilon[i] * epsilon[j])

                sigma_ij = 0.5 * (sigma[i] + sigma[j])

        self.lj3[i][j] = 4.0 * epsilon_ij * pow(sigma_ij,12.0);

        self.lj4[i][j] = 4.0 * epsilon_ij * pow(sigma_ij,6.0);

                self.lj3[i][j] = 4.0 * epsilon_ij * pow(sigma_ij, 12.0)

                self.lj4[i][j] = 4.0 * epsilon_ij * pow(sigma_ij, 6.0)



    # --------------------------------------------------------------------

    # args = cutlj_inner,cutlj,cutcoul_inner,cut_coul (last 2 optional)



  def init_lj_charmm_coul_charmm(self,list):

    def init_lj_charmm_coul_charmm(self, args):

        self.qqr2e = 332.0636  # convert energy to kcal/mol

    cut_lj_inner = list[0]

    cut_lj = list[1]

        cut_lj_inner = args[0]

        cut_lj = args[1]



        self.cut_lj_innersq = cut_lj_inner * cut_lj_inner

        self.cut_ljsq = cut_lj * cut_lj



    if len(list) == 2:

        if len(args) == 2:

            cut_coul_inner = cut_lj_inner

            cut_coul = cut_lj

        else:

      cut_coul_inner = list[2]

      cut_coul = list[3]

            cut_coul_inner = args[2]

            cut_coul = args[3]

        self.cut_coul_innersq = cut_coul_inner * cut_coul_inner

        self.cut_coulsq = cut_coul * cut_coul



    self.denom_lj = (self.cut_ljsq-self.cut_lj_innersq) *  \

      (self.cut_ljsq-self.cut_lj_innersq) *  \

      (self.cut_ljsq-self.cut_lj_innersq);

    self.denom_coul = (self.cut_coulsq-self.cut_coul_innersq) *  \

      (self.cut_coulsq-self.cut_coul_innersq) *  \

      (self.cut_coulsq-self.cut_coul_innersq);

        self.denom_lj = (

            (self.cut_ljsq - self.cut_lj_innersq)

            * (self.cut_ljsq - self.cut_lj_innersq)

            * (self.cut_ljsq - self.cut_lj_innersq)

        )

        self.denom_coul = (

            (self.cut_coulsq - self.cut_coul_innersq)

            * (self.cut_coulsq - self.cut_coul_innersq)

            * (self.cut_coulsq - self.cut_coul_innersq)

        )



    # --------------------------------------------------------------------

    # args = rsq,itype,jtype,q1,q2



  def single_lj_charmm_coul_charmm(self,list):

    rsq = list[0]

    itype = list[1]

    jtype = list[2]

    q1 = list[3]

    q2 = list[4]

    def single_lj_charmm_coul_charmm(self, args):

        rsq = args[0]

        itype = args[1]

        jtype = args[2]

        q1 = args[3]

        q2 = args[4]



        r2inv = 1.0 / rsq



        if rsq < self.cut_coulsq:

            eng_coul = self.qqr2e * q1 * q2 * sqrt(r2inv)

            if rsq > self.cut_coul_innersq:

        switch1 = (self.cut_coulsq-rsq) * (self.cut_coulsq-rsq) *  \

                  (self.cut_coulsq + 2.0*rsq - 3.0*self.cut_coul_innersq) /  \

                  self.denom_coul

                switch1 = (

                    (self.cut_coulsq - rsq)

                    * (self.cut_coulsq - rsq)

                    * (self.cut_coulsq + 2.0*rsq - 3.0*self.cut_coul_innersq)

                    / self.denom_coul

                )

                eng_coul *= switch1

    else: eng_coul = 0.0

        else:

            eng_coul = 0.0



        if rsq < self.cut_ljsq:

            r6inv = r2inv * r2inv * r2inv

      eng_vdwl = r6inv*(self.lj3[itype][jtype]*r6inv-self.lj4[itype][jtype])

            eng_vdwl = r6inv * (

                    self.lj3[itype][jtype] * r6inv

                    - self.lj4[itype][jtype]

                    )

            if rsq > self.cut_lj_innersq:

        switch1 = (self.cut_ljsq-rsq) * (self.cut_ljsq-rsq) *  \

                  (self.cut_ljsq + 2.0*rsq - 3.0*self.cut_lj_innersq) /  \

                  self.denom_lj

                switch1 = (

                    (self.cut_ljsq - rsq)

                    * (self.cut_ljsq - rsq)

                    * (self.cut_ljsq + 2.0 * rsq - 3.0 * self.cut_lj_innersq)

                    / self.denom_lj

                )

                eng_vdwl *= switch1

    else: eng_vdwl = 0.0

        else:

            eng_vdwl = 0.0



        return eng_coul, eng_vdwl

src/patch.py

+2038 −1579

File changed.

Preview size limit exceeded, changes collapsed.

src/plotview.py

+172 −156
Original line number Diff line number Diff line
@@ -5,12 +5,29 @@ 
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains

# certain rights in this software.  This software is distributed under

# the GNU General Public License.



#

# plotview tool

#

#

#

# History

#   8/05, Matt Jones (BYU): original version

#

# ToDo list

#   option to plot all N vectors against linear index?

#

# Variables

#   source = source of vector data

#   plot = plotting object

#   nplots = # of plots (not including 1st vector)

#   names = names of plots (from vector source)

#   radiovar = index of clicked radio button (0 = none, 1-N)

#   checkbuttons = list of check button objects

#   checkvars = list of status of check buttons

#   checkold = list of status of check buttons before click



oneline = "Plot multiple vectors from a data set"



docstr = """

"""

Plot multiple vectors from a data set

p = plotview(d,pl)      create GUI for viewing plots



  d = Pizza.py object that contains vectors (log, vec)
@@ -30,29 +47,17 @@ p.file("pressure") filename prefix for saving a plot 
p.save()                save currently selected plot to file.eps

"""



# History

#   8/05, Matt Jones (BYU): original version



# ToDo list

#   option to plot all N vectors against linear index?



# Variables

#   source = source of vector data

#   plot = plotting object

#   nplots = # of plots (not including 1st vector)

#   names = names of plots (from vector source)

#   radiovar = index of clicked radio button (0 = none, 1-N)

#   checkbuttons = list of check button objects

#   checkvars = list of status of check buttons

#   checkold = list of status of check buttons before click



# Imports and external programs



import sys, re, glob, time

from Tkinter import *

import sys

import re

import glob

import time

import tkinter as tk



# Class definition





class plotview:



    # --------------------------------------------------------------------
@@ -63,27 +68,29 @@ class plotview: 


        # create GUI



    from __main__ import tkroot

    root = Toplevel(tkroot)

    root.title('Pizza.py plotview tool')

        # from __main__ import tkroot



    self.frame1 = Frame(root)

    self.frame2 = Frame(root)

    self.frame3 = Frame(root)

        tkroot = tk.Tk()

        root = tk.Toplevel(tkroot)

        root.title("Pizza.py plotview tool")



    Button(self.frame1,text="Print As:",command=self.save).pack(side=TOP)

    self.entry = Entry(self.frame1,width=16)

        self.frame1 = tk.Frame(root)

        self.frame2 = tk.Frame(root)

        self.frame3 = tk.Frame(root)



        tk.Button(self.frame1, text="Print As:", command=self.save).pack(side=tk.TOP)

        self.entry = tk.Entry(self.frame1, width=16)

        self.entry.insert(0, "tmp")

    self.entry.pack(side=TOP)

        self.entry.pack(side=tk.TOP)



    Label(self.frame2,text="Select").pack(side=LEFT)

    Label(self.frame2,text = "Display").pack(side=RIGHT)

        tk.Label(self.frame2, text="Select").pack(side=tk.LEFT)

        tk.Label(self.frame2, text="Display").pack(side=tk.RIGHT)



        self.nplots = source.nvec

        self.names = source.names

        self.x = self.names[0]



    self.radiovar = IntVar()

        self.radiovar = tk.IntVar()

        self.checkbuttons = []

        self.checkvars = []

        self.checkold = []
@@ -98,24 +105,29 @@ class plotview: 
            self.plot.ytitle(self.names[i])

            self.plot.title(self.names[i])



      b = BooleanVar()

            b = tk.BooleanVar()

            b.set(0)

            self.checkvars.append(b)

            self.checkold.append(0)



      line = Frame(self.frame3)

            line = tk.Frame(self.frame3)

            rtitle = "%d %s" % (i + 1, self.names[i])

      Radiobutton(line, text=rtitle, value=i+1, variable=self.radiovar,

                  command=self.radioselect).pack(side=LEFT)

      cbutton = Checkbutton(line, variable=b, command=self.check)

      cbutton.pack(side=RIGHT)

            tk.Radiobutton(

                line,

                text=rtitle,

                value=i + 1,

                variable=self.radiovar,

                command=self.radioselect,

            ).pack(side=tk.LEFT)

            cbutton = tk.Checkbutton(line, variable=b, command=self.check)

            cbutton.pack(side=tk.RIGHT)

            self.checkbuttons.append(cbutton)

      line.pack(side=TOP,fill=X)

            line.pack(side=tk.TOP, fill=tk.X)



        self.radiovar.set(0)

    self.frame1.pack(side=TOP)

    self.frame2.pack(side=TOP,fill=X)

    self.frame3.pack(side=TOP,fill=X)

        self.frame1.pack(side=tk.TOP)

        self.frame2.pack(side=tk.TOP, fill=tk.X)

        self.frame3.pack(side=tk.TOP, fill=tk.X)



    # --------------------------------------------------------------------

    # set radio button and checkbox
@@ -129,13 +141,15 @@ class plotview: 
    # only invoke if currently unset



    def yes(self, n):

    if not self.checkvars[n-1].get(): self.checkbuttons[n-1].invoke()

        if not self.checkvars[n - 1].get():

            self.checkbuttons[n - 1].invoke()



    # --------------------------------------------------------------------

    # only invoke if currently set



    def no(self, n):

    if self.checkvars[n-1].get(): self.checkbuttons[n-1].invoke()

        if self.checkvars[n - 1].get():

            self.checkbuttons[n - 1].invoke()



    # --------------------------------------------------------------------
@@ -148,7 +162,8 @@ class plotview: 


    def save(self):

        n = self.radiovar.get()

    if n == 0: raise StandardError,"no plot selected"

        if n == 0:

            sys.exit("no plot selected")

        name = self.entry.get()

        self.plot.save(name)
@@ -174,7 +189,8 @@ class plotview: 
                    x, y = self.source.get(self.x, self.names[i])

                    self.plot.plot(x, y)

                else:

          if self.radiovar.get() == i+1: self.radiovar.set(0)

                    if self.radiovar.get() == i + 1:

                        self.radiovar.set(0)

                    self.plot.hide(i + 1)

                self.checkold[i] = int(self.checkvars[i].get())