BALL::UhligCavFreeEnergyProcessor::Default Struct Reference
#include <BALL/SOLVATION/uhligCavFreeEnergyProcessor.h>
Static Public Attributes | |
| static const int | VERBOSITY |
| static const float | PROBE_RADIUS |
| static const float | SURFACE_TENSION |
| static const float | CONSTANT |
Detailed Description
Default values for cavitation free energy calculations. These values represent the default settings for the calculations of the cavitation free energy.
Definition at line 82 of file uhligCavFreeEnergyProcessor.h.
Member Data Documentation
const float BALL::UhligCavFreeEnergyProcessor::Default::CONSTANT [static] |
Default additive constant. This additive constant was also found by fitting aginst experimental data Default::SURFACE_TENSION . In contrast to Simonson/Br{"u}nger it is not zero but 
.
- See also:
- Option::CONSTANT
Definition at line 116 of file uhligCavFreeEnergyProcessor.h.
const float BALL::UhligCavFreeEnergyProcessor::Default::PROBE_RADIUS [static] |
Default probe radius. This probe radius is the one suggested by Reiss et al. in their paper (1.385 $ A $).
- See also:
- Option::PROBE_RADIUS
Definition at line 94 of file uhligCavFreeEnergyProcessor.h.
const float BALL::UhligCavFreeEnergyProcessor::Default::SURFACE_TENSION [static] |
Default surface tension. This is a surface tension obtained by fitting calculated solvation free energies of several small solutes against experimantel data. The value (
) slightly differs from the value suggested by Simonson/Br{"u}nger in their paper (
).
- See also:
- Option::SURFACE_TENSION
Definition at line 106 of file uhligCavFreeEnergyProcessor.h.
const int BALL::UhligCavFreeEnergyProcessor::Default::VERBOSITY [static] |
Default verbosity level.
- See also:
- Option::VERBOSITY
Definition at line 87 of file uhligCavFreeEnergyProcessor.h.
