From 4a2d865282a8ab51e00fd8b0b1157ef01a94ea4f Mon Sep 17 00:00:00 2001
From: Andreas Suter <andreas.suter@psi.ch>
Date: Wed, 18 Aug 2021 16:57:29 +0200
Subject: [PATCH] add the option to dump the nonlocal field values for the
 ASlibs via the programm dump_nonlocal_field.

---
 src/external/Nonlocal/CMakeLists.txt          |   2 +
 src/external/Nonlocal/cmake/dnlf_config.h.in  |   4 +
 src/external/Nonlocal/prog/CMakeLists.txt     |  30 ++
 .../Nonlocal/prog/dump_nonlocal_field.cpp     | 286 ++++++++++++++++++
 4 files changed, 322 insertions(+)
 create mode 100644 src/external/Nonlocal/cmake/dnlf_config.h.in
 create mode 100644 src/external/Nonlocal/prog/CMakeLists.txt
 create mode 100644 src/external/Nonlocal/prog/dump_nonlocal_field.cpp

diff --git a/src/external/Nonlocal/CMakeLists.txt b/src/external/Nonlocal/CMakeLists.txt
index d35d5c41..fa906bdd 100644
--- a/src/external/Nonlocal/CMakeLists.txt
+++ b/src/external/Nonlocal/CMakeLists.txt
@@ -1,5 +1,7 @@
 # - Nonlocal library ----------------------------------------------------------
 
+add_subdirectory(prog)
+
 #--- generate necessary dictionaries ------------------------------------------
 set(MUSRFIT_INC ${CMAKE_SOURCE_DIR}/src/include)
 set(NONLOCAL_INC ${CMAKE_SOURCE_DIR}/src/external/Nonlocal)
diff --git a/src/external/Nonlocal/cmake/dnlf_config.h.in b/src/external/Nonlocal/cmake/dnlf_config.h.in
new file mode 100644
index 00000000..04f16c07
--- /dev/null
+++ b/src/external/Nonlocal/cmake/dnlf_config.h.in
@@ -0,0 +1,4 @@
+// dnlf_config.h
+
+#define PROJECT_VERSION "@PROJECT_VERSION@"
+
diff --git a/src/external/Nonlocal/prog/CMakeLists.txt b/src/external/Nonlocal/prog/CMakeLists.txt
new file mode 100644
index 00000000..ab958ab9
--- /dev/null
+++ b/src/external/Nonlocal/prog/CMakeLists.txt
@@ -0,0 +1,30 @@
+#--- dump_nonlocal_field ------------------------------------------------------
+
+project(dump_nonlocal_field VERSION 1.0.0 LANGUAGES C CXX)
+
+#--- feed dnlf_config.h -----------------------------------------
+set(HAVE_DNLF_CONFIG_H 1 CACHE INTERNAL "dnlf_config.h is available")
+configure_file(${CMAKE_CURRENT_SOURCE_DIR}/../cmake/dnlf_config.h.in ${CMAKE_CURRENT_BINARY_DIR}/dnlf_config.h)
+
+add_executable(dump_nonlocal_field ${GIT_REV_H} dump_nonlocal_field.cpp)
+target_compile_options(dump_nonlocal_field BEFORE PRIVATE "-DHAVE_CONFIG_H" "-DHAVE_DNLF_CONFIG_H" "${HAVE_GIT_REV_H}")
+target_include_directories(dump_nonlocal_field 
+  BEFORE PRIVATE
+    $<BUILD_INTERFACE:${Boost_INCLUDE_DIR}>
+    $<BUILD_INTERFACE:${CMAKE_BINARY_DIR}>
+    $<BUILD_INTERFACE:${CMAKE_BINARY_DIR}/src>
+    $<BUILD_INTERFACE:${CMAKE_CURRENT_BINARY_DIR}>
+    $<BUILD_INTERFACE:${CMAKE_CURRENT_BINARY_DIR}/..>
+)
+target_link_libraries(dump_nonlocal_field ${ROOT_LIBRARIES} ${MUSRFIT_LIBS} PNL_PippardFitter)
+
+#--- installation info --------------------------------------------------------
+install(
+  TARGETS
+    dump_nonlocal_field
+  RUNTIME DESTINATION 
+    bin
+)
+
+
+
diff --git a/src/external/Nonlocal/prog/dump_nonlocal_field.cpp b/src/external/Nonlocal/prog/dump_nonlocal_field.cpp
new file mode 100644
index 00000000..4efd46bc
--- /dev/null
+++ b/src/external/Nonlocal/prog/dump_nonlocal_field.cpp
@@ -0,0 +1,286 @@
+/***************************************************************************
+
+  dump_nonlocal_field.cpp
+
+  Author: Andreas Suter
+  e-mail: andreas.suter@psi.ch
+
+***************************************************************************/
+
+/***************************************************************************
+ *   Copyright (C) 2009-2021 by Andreas Suter                              *
+ *   andreas.suter@psi.ch                                                  *
+ *                                                                         *
+ *   This program is free software; you can redistribute it and/or modify  *
+ *   it under the terms of the GNU General Public License as published by  *
+ *   the Free Software Foundation; either version 2 of the License, or     *
+ *   (at your option) any later version.                                   *
+ *                                                                         *
+ *   This program is distributed in the hope that it will be useful,       *
+ *   but WITHOUT ANY WARRANTY; without even the implied warranty of        *
+ *   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the         *
+ *   GNU General Public License for more details.                          *
+ *                                                                         *
+ *   You should have received a copy of the GNU General Public License     *
+ *   along with this program; if not, write to the                         *
+ *   Free Software Foundation, Inc.,                                       *
+ *   59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.             *
+ ***************************************************************************/
+
+#include <iostream>
+#include <fstream>
+#include <string>
+#include <vector>
+#include <map>
+#include <cstring>
+
+#include <boost/algorithm/string.hpp>
+
+#include "PNL_PippardFitter.h"
+
+#ifdef HAVE_CONFIG_H
+#include "config.h"
+#endif
+#ifdef HAVE_DNLF_CONFIG_H
+#include "dnlf_config.h"
+#endif
+#ifdef HAVE_GIT_REV_H
+#include "git-revision.h"
+#endif
+
+void dnlf_syntax()
+{
+  std::cout << std::endl;
+  std::cout << "usage: dump_nonlocal_field [<msr-file> --out <field-dump> [--step <stepVal>] | --version | --help]" << std::endl;
+  std::cout << "   <msr-file> : nonlocal msr-file name." << std::endl;
+  std::cout << "   --out <field-dump> : ascii field dump output file name." << std::endl;
+  std::cout << "   --step <stepVal>   : this optional parameters allows to define the z-value step size in (nm)." << std::endl;
+  std::cout << "   --version          : dumps the version" << std::endl;
+  std::cout << "   --help             : will dump this help" << std::endl;
+  std::cout << std::endl << std::endl;
+}
+
+bool dnlf_read_msr(const std::string fln, std::vector<double> &param)
+{
+  std::ifstream fin(fln.c_str(), std::ifstream::in);
+  if (!fin.is_open()) {
+    std::cerr << std::endl;
+    std::cerr << "**ERROR** couldn't open msr-file: " << fln << std::endl;
+    std::cerr << std::endl;
+    return false;
+  }
+
+  std::vector<std::string> msrData;
+  std::string line;
+  while (fin.good()) {
+    std::getline(fin, line);
+    msrData.push_back(line);
+  }
+
+  fin.close();
+
+  // find userFcn line
+  line = "";
+  for (int i=0; i<msrData.size(); i++) {
+    if (msrData[i].find("userFcn") != std::string::npos) {
+      line = msrData[i];
+      if (line.find("PNL_PippardFitter") != std::string::npos)
+        break;
+      line = "";
+    }
+  }
+
+  if (line.empty()) {
+    std::cerr << std::endl;
+    std::cerr << "**ERROR** msr-file: " << fln << " seems not a proper nonlocal fit file." << std::endl;
+    std::cerr << std::endl;
+    return false;
+  }
+
+  // tokenize parameter part.
+  size_t pos=0;
+  pos = line.find(" PNL_PippardFitter");
+  line = line.substr(pos+18); // remove the 'userFcn libPNL_PippardFitter PNL_PippardFitter' part
+  boost::algorithm::trim(line); // remove leading/trailing whitespaces
+  std::vector<std::string> tok;
+  boost::split(tok, line, boost::is_any_of(" \t"), boost::token_compress_on);
+  std::vector<int> paramIdx;
+  int ival;
+  for (int i=0; i<tok.size(); i++) {
+    try {
+      ival = std::stoi(tok[i]);
+    }
+    catch(std::exception& e) {
+      ival = 0;
+    }
+    paramIdx.push_back(ival);
+  }
+
+  // find parameter value which corresponds to param index
+  bool inFitParamBlock(false);
+  std::map<int, double> paramMap;
+  double dval;
+  for (int i=0; i<msrData.size(); i++) {
+    if (inFitParamBlock) {
+      if (msrData[i].empty()) {
+        continue;
+      } else if (msrData[i][0] == '#') {
+        continue;
+      } else if (msrData[i].find("THEORY") != std::string::npos) {
+        inFitParamBlock = false;
+        break;
+      } else {
+        tok.clear();
+        line = msrData[i];
+        boost::algorithm::trim(line); // remove leading/trailing whitespaces
+        boost::split(tok, line, boost::is_any_of(" \t"), boost::token_compress_on);
+        if (tok.size() < 3) {
+          std::cerr << "**ERROR** bug in the fit parameter block!" << std::endl;
+          std::cerr << "'" << msrData[i] << "'" << std::endl;
+          return false;
+        }
+        // param index
+        try {
+          ival = std::stoi(tok[0]);
+        }
+        catch(std::exception& e) {
+          ival = 0;
+        }
+        // param value
+        try {
+          dval = std::stod(tok[2]);
+        }
+        catch(std::exception& e) {
+          dval = 0.0;
+        }
+        paramMap[ival] = dval;
+      }
+    } else {
+      if (msrData[i].find("FITPARAMETER") != std::string::npos) {
+        inFitParamBlock = true;
+      }
+    }
+  }
+
+  for (int i=0; i<paramIdx.size(); i++) {
+    if (paramIdx[i] != 0)
+      dval = paramMap.find(paramIdx[i])->second;
+    else
+      dval = 0.0;
+    param.push_back(dval);
+  }
+
+  return true;
+}
+
+int main(int argc, char* argv[])
+{
+  std::string msrFileName("");
+  std::string outFileName("");
+  double step(0.0);
+  bool show_syntax(false);
+
+  if (argc == 1) {
+    dnlf_syntax();
+    return 0;
+  }
+
+  for (int i=0; i<argc; i++) {
+    if (argv[i][0] != '-') { // must be the msr-file name
+      msrFileName = argv[i];
+    } else if (!strcmp(argv[i], "--version")) {
+#ifdef HAVE_CONFIG_H
+#ifdef HAVE_GIT_REV_H
+      std::cout << std::endl << "dump_nonlocal_field version: " << PROJECT_VERSION << " (" << PACKAGE_VERSION << "), git-branch: " << GIT_BRANCH << ", git-rev: " << GIT_CURRENT_SHA1 << " (" << BUILD_TYPE << "), ROOT version: " << ROOT_VERSION_USED << std::endl << std::endl;
+#else
+      std::cout << std::endl << "dump_nonlocal_field version: " << PROJECT_VERSION << " (" << PACKAGE_VERSION << "/" << BUILD_TYPE << "), ROOT version: " << ROOT_VERSION_USED << std::endl << std::endl;
+#endif
+#else
+#ifdef HAVE_GIT_REV_H
+      std::cout << std::endl << "dump_nonlocal_field git-branch: " << GIT_BRANCH << ", git-rev: " << GIT_CURRENT_SHA1 << std::endl << std::endl;
+#else
+      std::cout << std::endl << "dump_nonlocal_field version: unknown" << std::endl << std::endl;
+#endif
+#endif
+      return 0;
+    } else if (!strcmp(argv[i], "--help")) {
+      dnlf_syntax();
+      return 0;
+    } else if (!strcmp(argv[i], "--out")) {
+      if (i < argc-1) {
+        outFileName = argv[i+1];
+        i++;
+      } else {
+        std::cerr << std::endl << "dump_nonlocal_field: **ERROR** found option --out without <field-dump>" << std::endl;
+        show_syntax = true;
+        break;
+      }
+    } else if (!strcmp(argv[i], "--step")) {
+      if (i < argc-1) {
+        try {
+          step = std::stod(argv[i+1]);
+        }
+        catch(std::exception& e) {
+          std::cout << "dump_nonlocal_field: **ERROR** <stepVal> '" << argv[i+1] << "' seems not to be a double." << std::endl;
+          show_syntax = true;
+          break;
+        }
+        i++;
+      } else {
+        std::cerr << std::endl << "dump_nonlocal_field: **ERROR** found option --step without <stepVal>" << std::endl;
+        show_syntax = true;
+        break;
+      }
+    }
+  }
+
+  if (show_syntax) {
+    dnlf_syntax();
+    return -1;
+  }
+
+  std::vector<double> param;
+  if (!dnlf_read_msr(msrFileName, param)) {
+    return -2;
+  }
+
+
+  // calculate field and write it to file
+  PNL_PippardFitterGlobal pip;
+  pip.CalculateField(param);
+
+  std::ofstream fout(outFileName.c_str(), std::ofstream::out);
+  if (!fout.is_open()) {
+    std::cout << std::endl;
+    std::cerr << "**ERROR** can not write to file '" << outFileName << "'." << std::endl;
+    std::cout << std::endl;
+    return -3;
+  }
+  // write header
+  fout << "% z (nm), field (G)" << std::endl;
+
+  // write data
+  double z=0.0;
+  if (step == 0.0)
+    step = 0.1;
+  double prevField=0.0, field=0.0;
+  bool done(false);
+  double deadLayer = param[8];
+  double b0 = param[6];
+  do {
+    if (z < deadLayer) {
+      fout << z << ", " << b0 << std::endl;
+    } else {
+      field = pip.GetMagneticField(z-deadLayer);
+      fout << z << ", " << b0*field << std::endl;
+      if (fabs(prevField-field) < 1.0e-10)
+        done = true;
+      prevField = field;
+    }
+    z += step;
+  } while (!done);
+
+  fout.close();
+
+  return 0;
+}