Solve a simulation, using an experiment data set, a model, and simulation parameters.
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#include "us_solve_sim.h"
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static bool | checkGridSize (QList< DataSet * > &, double, QString &) |
| Static function to check if implied grid size is beyond limits. More...
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bool | check_grid_size (double, QString &) |
| Check if implied grid size is beyond limits. More...
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void | calc_residuals (int, int, Simulation &, bool=false, QVector< double > *=0, QVector< double > *=0) |
| Calculate a simulation and the resulting residuals. More...
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void | abort_work (void) |
| Set a flag so that the worker aborts at the earliest opportunity. More...
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void | compute_a_tilde (QVector< double > &, const QVector< double > &) |
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void | compute_L_tildes (int, int, QVector< double > &, const QVector< double > &) |
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void | compute_L_tilde (QVector< double > &, const QVector< double > &) |
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void | compute_L (int, int, QVector< double > &, const QVector< double > &, const QVector< double > &) |
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void | ri_small_a_and_b (int, int, int, QVector< double > &, QVector< double > &, const QVector< double > &, const QVector< double > &, const QVector< double > &, const QVector< double > &) |
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void | ti_small_a_and_b (int, int, int, QVector< double > &, QVector< double > &, const QVector< double > &, const QVector< double > &, const QVector< double > &, const QVector< double > &) |
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void | compute_L_bar (QVector< double > &, const QVector< double > &, const QVector< double > &) |
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void | compute_a_bar (QVector< double > &, const QVector< double > &, const QVector< double > &) |
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void | compute_L_bars (int, int, int, int, QVector< double > &, const QVector< double > &, const QVector< double > &) |
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bool | data_threshold (US_DataIO::RawData *, double, double, double, double) |
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bool | data_threshold (US_DataIO::EditedData *, double, double, double, double) |
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void | set_comp_attr (US_Model::SimulationComponent &, US_Solute &, int) |
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void | DebugTime (QString) |
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Solve a simulation, using an experiment data set, a model, and simulation parameters.
The central method used herein is calc_residuals().
Definition at line 23 of file us_solve_sim.h.
Enumerator |
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ATTR_S |
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ATTR_K |
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ATTR_W |
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ATTR_V |
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ATTR_D |
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ATTR_F |
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Definition at line 124 of file us_solve_sim.h.
US_SolveSim::US_SolveSim |
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QList< DataSet * > & |
data_sets, |
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int |
thrnrank, |
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bool |
signal_wanted = false |
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Constructor for the SolveSim class
- Parameters
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data_sets | The set of data sets for which to solve |
thrnrank | Thread number or processor rank (1,...) |
signal_wanted | Flag whether to emit progress signals |
Definition at line 24 of file us_solve_sim.cpp.
void US_SolveSim::abort_work |
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void |
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Set a flag so that the worker aborts at the earliest opportunity.
Definition at line 1258 of file us_solve_sim.cpp.
void US_SolveSim::calc_residuals |
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int |
offset, |
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int |
dataset_count, |
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Simulation & |
sim_vals, |
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bool |
padAB = false , |
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QVector< double > * |
ASave = 0 , |
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QVector< double > * |
BSave = 0 |
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Calculate a simulation and the resulting residuals.
- Parameters
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offset | Starting data-sets offset |
dataset_count | Number of data sets for which to solve |
sim_vals | Simulation parameters object |
padAB | Optional flag to pad saved A and B |
ASave | Optional pointer for saving A matrix |
BSave | Optional pointer for saving B matrix |
Definition at line 152 of file us_solve_sim.cpp.
bool US_SolveSim::check_grid_size |
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double |
s_max, |
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QString & |
smsg |
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Check if implied grid size is beyond limits.
- Parameters
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s_max | S-value maximum |
smsg | Returned size error message (if return=true) |
- Returns
- Flag of size problem existing
Definition at line 146 of file us_solve_sim.cpp.
bool US_SolveSim::checkGridSize |
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QList< DataSet * > & |
data_sets, |
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double |
s_max, |
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QString & |
smsg |
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staticslot |
Static function to check if implied grid size is beyond limits.
- Parameters
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data_sets | The set of data sets for which to check |
s_max | S-value maximum |
smsg | Returned size error message (if return=true) |
- Returns
- Flag of size problem existing
Definition at line 89 of file us_solve_sim.cpp.
void US_SolveSim::compute_a_bar |
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QVector< double > & |
a_bar, |
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const QVector< double > & |
a_tilde, |
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const QVector< double > & |
nnls_b |
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privateslot |
void US_SolveSim::compute_a_tilde |
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QVector< double > & |
a_tilde, |
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const QVector< double > & |
nnls_b |
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privateslot |
void US_SolveSim::compute_L |
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int |
ntotal, |
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int |
nsolutes, |
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QVector< double > & |
L, |
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const QVector< double > & |
nnls_a, |
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const QVector< double > & |
nnls_x |
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privateslot |
void US_SolveSim::compute_L_bar |
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QVector< double > & |
L_bar, |
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const QVector< double > & |
L, |
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const QVector< double > & |
L_tilde |
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privateslot |
void US_SolveSim::compute_L_bars |
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int |
nsolutes, |
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int |
nrinois, |
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int |
ntinois, |
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int |
ntotal, |
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QVector< double > & |
L_bars, |
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const QVector< double > & |
nnls_a, |
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const QVector< double > & |
L_tildes |
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privateslot |
void US_SolveSim::compute_L_tilde |
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QVector< double > & |
L_tilde, |
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const QVector< double > & |
L |
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privateslot |
void US_SolveSim::compute_L_tildes |
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int |
nrinois, |
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int |
nsolutes, |
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QVector< double > & |
L_tildes, |
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const QVector< double > & |
nnls_a |
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privateslot |
bool US_SolveSim::data_threshold |
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US_DataIO::RawData * |
sdata, |
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double |
zerothr, |
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double |
linethr, |
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double |
maxod, |
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double |
mfactor |
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privateslot |
bool US_SolveSim::data_threshold |
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US_DataIO::EditedData * |
edata, |
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double |
zerothr, |
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double |
linethr, |
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double |
maxod, |
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double |
mfactor |
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privateslot |
void US_SolveSim::DebugTime |
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QString |
mtext | ) |
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privateslot |
void US_SolveSim::ri_small_a_and_b |
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int |
nsolutes, |
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int |
ntotal, |
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int |
nrinois, |
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QVector< double > & |
small_a, |
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QVector< double > & |
small_b, |
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const QVector< double > & |
a_tilde, |
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const QVector< double > & |
L_tildes, |
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const QVector< double > & |
nnls_a, |
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const QVector< double > & |
nnls_b |
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privateslot |
void US_SolveSim::ti_small_a_and_b |
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int |
nsolutes, |
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int |
ntotal, |
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int |
ntinois, |
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QVector< double > & |
small_a, |
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QVector< double > & |
small_b, |
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const QVector< double > & |
a_bar, |
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const QVector< double > & |
L_bars, |
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const QVector< double > & |
nnls_a, |
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const QVector< double > & |
nnls_b |
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privateslot |
void US_SolveSim::work_progress |
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int |
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signal |
emit a signal that includes a progress step count
bool US_SolveSim::banddthr |
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bool US_SolveSim::calc_ri |
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bool US_SolveSim::calc_ti |
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QList< DataSet* >& US_SolveSim::data_sets |
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int US_SolveSim::dbg_level |
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bool US_SolveSim::dbg_timing |
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int US_SolveSim::noisflag |
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bool US_SolveSim::signal_wanted |
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QDateTime US_SolveSim::startCalc |
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int US_SolveSim::thrnrank |
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private |
The documentation for this class was generated from the following files: