Simpatico  v1.10
SSChainDist.h
1 #ifndef SS_CHAIN_DIST_H
2 #define SS_CHAIN_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 
32  class SSChainDist : public SystemAnalyzer<System>
33  {
34 
35  public:
36 
42  SSChainDist(System &system);
43 
49  virtual void readParameters(std::istream& in);
50 
54  virtual void setup();
55 
61  void sample(long iStep);
62 
66  virtual void output();
67 
68  private:
69 
70  // Output file stream
71  std::ofstream outputFile_;
72 
73  // Distribution statistical accumulator
74  Distribution accumulator_;
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.
Utility classes for scientific computation.
Definition: accumulators.mod:1
SSChainDist evaluates the distribution of slip-springs along the chains.
Definition: SSChainDist.h:32
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