ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/branches/new_design/OOPSE-4/src/brains/Stats.cpp
(Generate patch)

Comparing branches/new_design/OOPSE-4/src/brains/Stats.cpp (file contents):
Revision 1725 by tim, Wed Nov 10 22:01:06 2004 UTC vs.
Revision 1820 by tim, Thu Dec 2 00:09:35 2004 UTC

# Line 35 | Line 35 | Stats::title_[Stats::TOTALENERGY] = "Total Energy";
35  
36   namespace oopse {
37  
38 < Stats::title_[Stats::TOTALENERGY] = "Total Energy";
39 < Stats::title_[Stats::TOTALPOTENTIAL] = "Total Potential";
40 < Stats::title_[Stats::TOTALKINETIC] = "Total Kinetic";
41 < Stats::title_[Stats::TEMPERATURE] = "Temperature";
42 < Stats::title_[Stats::PRESSURE] = "Pressure";
43 < Stats::title_[Stats::CONSERVEQUAN] = "Conserved Quantity";
44 < Stats::title_[Stats::ELECTROSTATIC] = "Eletrostatic";
45 < Stats::title_[Stats::BOND] = "Bond";
46 < Stats::title_[Stats::BEND] = "Bend";
47 < Stats::title_[Stats::DIHEDRAL] = "Dihedral";
48 < Stats::title_[Stats::IMPROPER] = "Improper";
38 > bool Stats::isInit_ = false;
39  
40 + Stats::Stats() {
41 +
42 +    if (!isInit_) {
43 +        init();
44 +        isInit_ = false;
45 +    }
46 +
47   }
48 +
49 + void Stats::init() {
50 +
51 +    title_[TIME] = "Time";
52 +    title_[TOTAL_ENERGY] = "Total Energy";
53 +    title_[POTENTIAL_ENERGY] = "Potential Energy";
54 +    title_[KINETIC_ENERGY] = "Kinetic Energy";
55 +    title_[TEMPERATURE] = "Temperature";
56 +    title_[PRESSURE] = "Pressure";
57 +    title_[VOLUME] = "Volume"
58 +    title_[CONSERVED_QUANTITY] = "Conserved Quantity";            
59 +    title_[TRANSLATIONAL_KINETIC] = "Translational Kinetic";
60 +    title_[ROTATIONAL_KINETIC] = "Rotational Kinetic";
61 +    title_[LONG_RANGE_POTENTIAL] = "Long Range Potential";
62 +    title_[SHORT_RANGE_POTENTIAL] = "Short Range Potential";
63 +    title_[VANDERWAALS_POTENTIAL] = "van der waals Potential";
64 +    title_[BOND_POTENTIAL] = "Bond Potential";
65 +    title_[BEND_POTENTIAL] = "Bend Potential";
66 +    title_[DIHEDRAL_POTENTIAL] = "Dihedral Potential";
67 +    title_[IMPROPER_POTENTIAL] = "Improper Potential";
68 +    title_[VRAW] = "Raw Potential";
69 +    title_[VHARM] = "Harmonic Potential";
70 +
71 +    units_[TIME] = "fs";
72 +    units_[TOTAL_ENERGY] = "kcal/mol";
73 +    units_[POTENTIAL_ENERGY] = "kcal/mol";
74 +    units_[KINETIC_ENERGY] = "kcal/mol";
75 +    units_[TEMPERATURE] = "K";
76 +    units_[PRESSURE] = "atm";
77 +    units_[VOLUME] = "A^3"
78 +    units_[CONSERVED_QUANTITY] = "kcal/mol";            
79 +    units_[TRANSLATIONAL_KINETIC] = "kcal/mol";
80 +    units_[ROTATIONAL_KINETIC] = "kcal/mol";
81 +    units_[LONG_RANGE_POTENTIAL] = "kcal/mol";
82 +    units_[SHORT_RANGE_POTENTIAL] = "kcal/mol";
83 +    units_[VANDERWAALS_POTENTIAL] = "kcal/mol";
84 +    units_[BOND_POTENTIAL] = "kcal/mol";
85 +    units_[BEND_POTENTIAL] = "kcal/mol";
86 +    units_[DIHEDRAL_POTENTIAL] = "kcal/mol";
87 +    units_[IMPROPER_POTENTIAL] = "kcal/mol";
88 +    units_[VRAW] = "kcal/mol";
89 +    units_[VHARM] = "kcal/mol";
90 + }
91 +
92 + }

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines