Simpatico  v1.10
LinkLengthDist.h
1 #ifndef LINK_LENGTH_DIST_H
2 #define LINK_LENGTH_DIST_H
3 
4 /*
5 * Simpatico - Simulation Package for Polymeric and Molecular Liquids
6 *
7 * Copyright 2010 - 2014, The Regents of the University of Minnesota
8 * Distributed under the terms of the GNU General Public License.
9 */
10 
11 #include <mcMd/analyzers/SystemAnalyzer.h> // base class template
12 #include <mcMd/simulation/System.h> // base class template parameter
13 #include <util/accumulators/Distribution.h>
14 #include <util/containers/DArray.h>
15 
16 #include <util/global.h>
17 
18 namespace McMd
19 {
20 
21  using namespace Util;
22 
28  class LinkLengthDist : public SystemAnalyzer<System>
29  {
30 
31  public:
32 
38  LinkLengthDist(System &system);
39 
45  virtual void readParameters(std::istream& in);
46 
50  virtual void setup();
51 
57  void sample(long iStep);
58 
62  virtual void output();
63 
64  private:
65 
66  // Output file stream
67  std::ofstream outputFile_;
68 
69  // Distribution statistical accumulator
70  Distribution accumulator_;
71 
73  int speciesId_;
74 
75 
76  };
77 
78 }
79 #endif
A set of interacting Molecules enclosed by a Boundary.
Definition: System.h:115
File containing preprocessor macros for error handling.
LinkLengthDist evaluates the distribution function of the lengths of the links.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Template for Analyzer associated with one System.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
A distribution (or histogram) of values for a real variable.
Definition: Distribution.h:23