Commit 2536f28e authored by Anne Gunn's avatar Anne Gunn
Browse files

Per comments from Axel, continued the evolution of the output messages. 

- Converted Compute message with imputed value to fmt::format style.
- Condensed most error-> output messages to oneliners where fmt::format
is called within the call to the error method. For a couple, the
formatting string/value list were complex enough that I continued using
a temporary string variable to make the code easier to read.
parent 52748f57

src/USER-BOCS/compute_pressure_bocs.cpp

+2 −3
Original line number Diff line number Diff line
@@ -28,6 +28,7 @@ 
#include "domain.h"

#include "error.h"

#include "fix.h"

#include "fmt/format.h"

#include "force.h"

#include "improper.h"

#include "kspace.h"
@@ -218,9 +219,7 @@ double ComputePressureBocs::find_index(double * grid, double value) 


  if (value >= grid[i] && value <= (grid[i] + spacing)) { return i; }



  char errmsg[256];

  snprintf(errmsg,256,"find_index could not find value in grid for value: %f",value);

  error->all(FLERR,errmsg);

  error->all(FLERR, fmt::format("find_index could not find value in grid for value: {}", value));

  for (int i = 0; i < gridsize; ++i)

  {

    fprintf(stderr, "grid %d: %f\n",i,grid[i]);

src/USER-BOCS/fix_bocs.cpp

+51 −45
Original line number Diff line number Diff line
@@ -644,6 +644,7 @@ void FixBocs::init() 
// NJD MRD 2 functions

int FixBocs::read_F_table( char *filename, int p_basis_type )

{

  std::string message;

  double **data;

  bool badInput = false;

  int numEntries = 0;
@@ -655,8 +656,9 @@ int FixBocs::read_F_table( char *filename, int p_basis_type ) 
    // through the file.

    // NB: LAMMPS coding guidelines prefer cstdio so we are intentionally

    // foregoing  reading with getline

    std::string message = fmt::format("INFO: About to read data file: {}", filename);

    error->message(FLERR, message);

    if (comm->me == 0) {

        error->message(FLERR, fmt::format("INFO: About to read data file: {}", filename));

    }



    // Data file lines hold two floating point numbers.

    // Line length we allocate should be long enough without being too long.
@@ -670,8 +672,10 @@ int FixBocs::read_F_table( char *filename, int p_basis_type ) 
    fclose(fpi);



    numEntries = inputLines.size();

    message = fmt::format("INFO: Read {} lines from file", numEntries);

    error->message(FLERR, message);

    if (comm->me == 0) {

      error->message(FLERR, fmt::format("INFO: Read {} lines from file", numEntries));

    }





    // Allocate memory for the two dimensional matrix

    // that holds data from the input file.
@@ -694,29 +698,34 @@ int FixBocs::read_F_table( char *filename, int p_basis_type ) 
      test_sscanf = sscanf(inputLines.at(i).c_str()," %f , %f ",&f1, &f2);

      if (test_sscanf == 2)

      {

        //message = fmt::format("INFO: f1 = {}, f2 = {}", f1, f2);

        //error->message(FLERR,message);

        //if (comm->me == 0) {

        //    error->message(FLERR, fmt::format("INFO: f1 = {}, f2 = {}", f1, f2));

        //}

        data[VOLUME][i] = (double)f1;

        data[PRESSURE_CORRECTION][i] = (double)f2;

        if (i == 1)

        {

          // second entry is used to compute the validation interval used below

          stdVolumeInterval = data[VOLUME][i] - data[VOLUME][i-1];

          //message = fmt::format("INFO: standard volume interval computed: {}", stdVolumeInterval);

          //error->message(FLERR,message);

          //if (comm->me == 0) {

          //    error->message(FLERR, fmt::format("INFO: standard volume interval computed: {}", stdVolumeInterval));

          //}

        }

        else if (i > 1)

        {

          // after second entry, all intervals are validated

          currVolumeInterval = data[VOLUME][i] - data[VOLUME][i-1];

          //message = fmt::format("INFO: current volume interval: {}", currVolumeInterval);

          //error->message(FLERR,message);

          //if (comm->me == 0) {

          //    error->message(FLERR, fmt::format("INFO: current volume interval: {}", currVolumeInterval));

          //}

          if (fabs(currVolumeInterval - stdVolumeInterval) > volumeIntervalTolerance) {

            message = fmt::format("ERROR: Bad volume interval. Spline analysis requires uniform"

            if (comm->me == 0) {

                message = fmt::format("Bad volume interval. Spline analysis requires uniform"

                                      " volume distribution, found inconsistent volume"

                                      " differential, line {} of file {}\n\tline: {}",

                                      lineNum, filename, inputLines.at(i));

            error->message(FLERR,message);

                error->warning(FLERR, message);

            }

            badInput = true;

            numBadVolumeIntervals++;

          }
@@ -725,10 +734,12 @@ int FixBocs::read_F_table( char *filename, int p_basis_type ) 
      }

      else

      {

        message = fmt::format("ERROR: Bad input format: did not find 2 comma separated numeric"

        if (comm->me == 0) {

          message = fmt::format("Bad input format: did not find 2 comma separated numeric"

                                " values in line {} of file {}\n\tline: {}",

                                lineNum, filename, inputLines.at(i));

        error->message(FLERR,message);

          error->warning(FLERR, message);

        }

        badInput = true;

      }

      if (badInput)
@@ -737,19 +748,16 @@ int FixBocs::read_F_table( char *filename, int p_basis_type ) 
      }

    }



    if (numBadVolumeIntervals) {

      message = fmt::format("INFO: total number bad volume intervals = {}", numBadVolumeIntervals);

      error->message(FLERR,message);

    if (numBadVolumeIntervals > 0 && comm->me == 0) {

      error->message(FLERR, fmt::format("INFO: total number bad volume intervals = {}", numBadVolumeIntervals));

    }

  }

  else {

    std::string errmsg = fmt::format("ERROR: Unable to open file: {}", filename);

    error->all(FLERR,errmsg);

    error->all(FLERR,fmt::format("ERROR: Unable to open file: {}", filename));

  }



  if (badInput) {

    std::string errmsg = fmt::format("Bad volume / pressure-correction data: {}\nSee details above", filename);

    error->message(FLERR,errmsg);

  if (badInput && comm->me == 0) {

    error->warning(FLERR,fmt::format("Bad volume / pressure-correction data: {}\nSee details above", filename));

  }



  if (p_basis_type == BASIS_LINEAR_SPLINE)
@@ -764,8 +772,7 @@ int FixBocs::read_F_table( char *filename, int p_basis_type ) 
  }

  else

  {

    std::string errmsg = fmt::format("ERROR: invalid p_basis_type value of {} in read_F_table", p_basis_type);

    error->all(FLERR,errmsg);

    error->all(FLERR,fmt::format("ERROR: invalid p_basis_type value of {} in read_F_table", p_basis_type));

  }



  memory->destroy(data);
@@ -773,10 +780,9 @@ int FixBocs::read_F_table( char *filename, int p_basis_type ) 
}



int FixBocs::build_linear_splines(double **data) {

  std::string message;

  //message = fmt::format("INFO: entering build_linear_splines, spline_length = {}", spline_length);

  //error->message(FLERR, message);



  //if (comm->me == 0) {

    //error->message(FLERR, fmt::format("INFO: entering build_linear_splines, spline_length = {}", spline_length));

  //}

  splines = (double **) calloc(NUM_LINEAR_SPLINE_COLUMNS,sizeof(double *));

  splines[VOLUME] = (double *) calloc(spline_length,sizeof(double));

  splines[PRESSURE_CORRECTION] = (double *) calloc(spline_length,sizeof(double));
@@ -787,18 +793,18 @@ int FixBocs::build_linear_splines(double **data) { 
    splines[PRESSURE_CORRECTION][i] = data[PRESSURE_CORRECTION][i];

  }



  message = fmt::format("INFO: leaving build_linear_splines, spline_length = {}", spline_length);

  error->message(FLERR, message);

  if (comm->me == 0) {

    error->message(FLERR, fmt::format("INFO: leaving build_linear_splines, spline_length = {}", spline_length));

  }



  return spline_length;

}



int FixBocs::build_cubic_splines(double **data)

{

  std::string message;

  //message = fmt::format("INFO: entering build_cubic_splines, spline_length = {}", spline_length);

  //error->message(FLERR, message);



  //if (comm->me == 0) {

    //error->message(FLERR, fmt::format("INFO: entering build_cubic_splines, spline_length = {}", spline_length));

  //}

  int n = spline_length;

  double *a, *b, *d, *h, *alpha, *c, *l, *mu, *z;

  // 2020-07-17 ag:
@@ -866,16 +872,15 @@ int FixBocs::build_cubic_splines(double **data) 
    d[j] = (c[j+1]-c[j])/(3.0 * h[j]);

  }



  memory->create(splines, NUM_CUBIC_SPLINE_COLUMNS, n-1, "splines");

  int numSplines = 0;

  for (int idx = 0; idx < n - 1; ++idx)

  int numSplines = n - 1;

  memory->create(splines, NUM_CUBIC_SPLINE_COLUMNS, numSplines, "splines");

  for (int idx = 0; idx < numSplines; ++idx)

  {

    splines[0][idx] = data[0][idx];

    splines[1][idx] = a[idx];

    splines[2][idx] = b[idx];

    splines[3][idx] = c[idx];

    splines[4][idx] = d[idx];

    numSplines++;

  }



  memory->destroy(a);
@@ -889,8 +894,9 @@ int FixBocs::build_cubic_splines(double **data) 
  memory->destroy(mu);

  memory->destroy(z);



  message = fmt::format("INFO: leaving build_cubic_splines, numSplines = {}", numSplines);

  error->message(FLERR, message);

  if (comm->me == 0) {

    error->message(FLERR, fmt::format("INFO: leaving build_cubic_splines, numSplines = {}", numSplines));

  }



  // Tell the caller how many splines we created

  return numSplines;

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