{"action":"created","comment":{"url":"https://api.github.com/repos/mantidproject/mantid/pulls/comments/78530825","id":78530825,"diff_hunk":"@@ -0,0 +1,112 @@\n+//----------------------------------------------------------------------\n+// Includes\n+//----------------------------------------------------------------------\n+#include \"MantidAlgorithms/MagFormFactorCorrection.h\"\n+#include \"MantidKernel/MagneticIon.h\"\n+#include \"MantidAPI/Axis.h\"\n+#include \"MantidAPI/AnalysisDataService.h\"\n+#include \"MantidAPI/MatrixWorkspace.h\"\n+#include \"MantidAPI/WorkspaceFactory.h\"\n+\n+using namespace Mantid::PhysicalConstants;\n+\n+namespace Mantid {\n+namespace Algorithms {\n+\n+// Register the algorithm into the AlgorithmFactory\n+DECLARE_ALGORITHM(MagFormFactorCorrection)\n+\n+using namespace Kernel;\n+using namespace API;\n+using namespace PhysicalConstants;\n+\n+void MagFormFactorCorrection::init() {\n+  declareProperty(\n+      make_unique<WorkspaceProperty<>>(\"InputWorkspace\", \"\", Direction::Input),\n+      \"Workspace must have one axes with units of Q\");\n+  declareProperty(make_unique<WorkspaceProperty<>>(\"OutputWorkspace\", \"\",\n+                                                   Direction::Output),\n+                  \"Output workspace name.\");\n+  declareProperty(\"IonName\", \"\", \"The name of the ion: an element symbol with \"\n+                                 \"a number indicating the valence, e.g. Fe2\");\n+  declareProperty(\"FormFactorWorkspace\", \"\",\n+                  \"If specified the algorithm will create a 1D workspace with \"\n+                  \"the form factor vs Q with a name given by this field.\");\n+}\n+\n+void MagFormFactorCorrection::exec() {\n+  int64_t iax, numAxes, nQ, iQ;\n+  bool hasQ = false;\n+  std::string unitID;\n+  Axis *QAxis;\n+  std::vector<double> Qvals, FF;\n+  double ff;\n+  MatrixWorkspace_sptr inputWS = getProperty(\"InputWorkspace\");\n+  MatrixWorkspace_sptr outputWS = getProperty(\"OutputWorkspace\");\n+  const std::string ionNameStr = getProperty(\"IonName\");\n+  const std::string ffwsStr = getProperty(\"FormFactorWorkspace\");\n+  const bool isHist = inputWS->isHistogramData();\n+  const int64_t numHists = inputWS->getNumberHistograms();\n+  const int64_t specSize = inputWS->blocksize();\n+\n+  // Checks that there is a |Q| axis.\n+  numAxes = inputWS->axes();\n+  for (iax = 0; iax < numAxes; iax++) {\n+    QAxis = inputWS->getAxis(iax);\n+    unitID = QAxis->unit()->unitID();\n+    if (unitID == \"MomentumTransfer\") {\n+      hasQ = true;\n+      // Gets the list of Q values\n+      if (isHist || iax > 0) {\n+        nQ = QAxis->length() - 1;\n+        for (iQ = 0; iQ < nQ; iQ++) {\n+          Qvals.push_back(0.5 * (QAxis->getValue(static_cast<size_t>(iQ)) +\n+                                 QAxis->getValue(static_cast<size_t>(iQ + 1))));\n+        }\n+      } else {\n+        nQ = QAxis->length();\n+        for (iQ = 0; iQ < nQ; iQ++) {\n+          Qvals.push_back(QAxis->getValue(static_cast<size_t>(iQ)));\n+        }\n+      }\n+      break;\n+    }\n+  }\n+  if (!hasQ) {\n+    throw std::runtime_error(\"Expected a MatrixWorkspace with a \"\n+                             \"MomentumTransfer axis. Cannot apply form factor \"\n+                             \"without knowing Q.\");\n+  }\n+\n+  // Parses the ion name and get handle to MagneticIon object\n+  const MagneticIon ion = getMagneticIon(ionNameStr);\n+  // Gets the vector of form factor values\n+  FF.reserve(nQ);\n+  for (iQ = 0; iQ < nQ; iQ++) {\n+    FF.push_back(ion.analyticalFormFactor(Qvals[iQ] * Qvals[iQ], 0, 0));\n+  }\n+  if (!ffwsStr.empty()) {\n+    MatrixWorkspace_sptr ffws = API::WorkspaceFactory::Instance().create(\n+        \"Workspace2D\", 1, Qvals.size(), FF.size());\n+    ffws->mutableX(0).assign(Qvals.begin(), Qvals.end());\n+    ffws->mutableY(0).assign(FF.begin(), FF.end());\n+    API::AnalysisDataService::Instance().addOrReplace(ffwsStr, ffws);\n+  }\n+\n+  // Does the actual scaling.\n+  outputWS = inputWS->clone();\n+  for (int64_t i = 0; i < numHists; i++) {\n+    auto &Y = outputWS->mutableY(i);\n+    auto &E = outputWS->mutableE(i);\n+    for (int64_t j = 0; j < specSize; j++) {\n+      ff = (iax == 0) ? FF[j] : FF[i];\n+      Y[j] /= ff;\n+      E[j] /= ff;","path":"Framework/Algorithms/src/MagFormFactorCorrection.cpp","position":104,"original_position":104,"commit_id":"784f2a2668fe369fc423cf159806f4ab73fe0960","original_commit_id":"784f2a2668fe369fc423cf159806f4ab73fe0960","user":{"login":"mantid-roman","id":1132713,"avatar_url":"https://avatars.githubusercontent.com/u/1132713?v=3","gravatar_id":"","url":"https://api.github.com/users/mantid-roman","html_url":"https://github.com/mantid-roman","followers_url":"https://api.github.com/users/mantid-roman/followers","following_url":"https://api.github.com/users/mantid-roman/following{/other_user}","gists_url":"https://api.github.com/users/mantid-roman/gists{/gist_id}","starred_url":"https://api.github.com/users/mantid-roman/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mantid-roman/subscriptions","organizations_url":"https://api.github.com/users/mantid-roman/orgs","repos_url":"https://api.github.com/users/mantid-roman/repos","events_url":"https://api.github.com/users/mantid-roman/events{/privacy}","received_events_url":"https://api.github.com/users/mantid-roman/received_events","type":"User","site_admin":false},"body":"Can `ff` be 0?","created_at":"2016-09-13T10:06:45Z","updated_at":"2016-09-13T10:06:45Z","html_url":"https://github.com/mantidproject/mantid/pull/17470#discussion_r78530825","pull_request_url":"https://api.github.com/repos/mantidproject/mantid/pulls/17470","_links":{"self":{"href":"https://api.github.com/repos/mantidproject/mantid/pulls/comments/78530825"},"html":{"href":"https://github.com/mantidproject/mantid/pull/17470#discussion_r78530825"},"pull_request":{"href":"https://api.github.com/repos/mantidproject/mantid/pulls/17470"}}},"pull_request":{"url":"https://api.github.com/repos/mantidproject/mantid/pulls/17470","id":84917560,"html_url":"https://github.com/mantidproject/mantid/pull/17470","diff_url":"https://github.com/mantidproject/mantid/pull/17470.diff","patch_url":"https://github.com/mantidproject/mantid/pull/17470.patch","issue_url":"https://api.github.com/repos/mantidproject/mantid/issues/17470","number":17470,"state":"open","locked":false,"title":"15703 inelastic form factor correction","user":{"login":"mducle","id":14106963,"avatar_url":"https://avatars.githubusercontent.com/u/14106963?v=3","gravatar_id":"","url":"https://api.github.com/users/mducle","html_url":"https://github.com/mducle","followers_url":"https://api.github.com/users/mducle/followers","following_url":"https://api.github.com/users/mducle/following{/other_user}","gists_url":"https://api.github.com/users/mducle/gists{/gist_id}","starred_url":"https://api.github.com/users/mducle/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mducle/subscriptions","organizations_url":"https://api.github.com/users/mducle/orgs","repos_url":"https://api.github.com/users/mducle/repos","events_url":"https://api.github.com/users/mducle/events{/privacy}","received_events_url":"https://api.github.com/users/mducle/received_events","type":"User","site_admin":false},"body":"This PR adds a new algorithm which corrects a workspace with a |Q| axis for the magnetic form factor. That is, given an ion name, it obtains the form factor F(Q) from `MagneticIon` and scales the input workspace by 1/F(Q). \r\n\r\n**To test:**\r\n\r\nTesting instructions to follow.\r\n\r\n<!-- Instructions for testing. -->\r\n\r\nFixes #15703 .\r\n\r\nDocumentation to follow.\r\n\r\n<!-- RELEASE NOTES\r\nEither edit the file in docs/source/release/... and it will be in your pull request or state\r\n*Does not need to be in the release notes.*\r\n-->\r\n\r\n---\r\n\r\n#### Reviewer ####\r\n\r\nPlease comment on the following ([full description](http://www.mantidproject.org/Individual_Ticket_Testing)):\r\n\r\n##### Code Review #####\r\n\r\n- [ ] Is the code of an acceptable quality?\r\n- [ ] Does the code conform to the [coding standards](http://www.mantidproject.org/Coding_Standards)? Is it well structured with small focussed classes/methods/functions?\r\n- [ ] Are there unit/system tests in place? Are the unit tests small and test the a class in isolation?\r\n- [ ] If there are changes in the release notes then do they describe the changes appropriately?\r\n\r\n##### Functional Tests #####\r\n\r\n- [ ] Do changes function as described? Add comments below that describe the tests performed?\r\n- [ ] How do the changes handle unexpected situations, e.g. bad input?\r\n- [ ] Has the relevant documentation been added/updated?\r\n- [ ] Is user-facing documentation written in a user-friendly manner?\r\n- [ ] Has developer documentation been updated if required?\r\n\r\n- Does everything look good? Comment with the ship it emoji but don't merge. A member of `@mantidproject/gatekeepers` will take care of it.\r\n","created_at":"2016-09-12T18:10:28Z","updated_at":"2016-09-13T10:06:46Z","closed_at":null,"merged_at":null,"merge_commit_sha":"91645c41772e0ac570adf01b07b104e945fb81b6","assignee":{"login":"mantid-roman","id":1132713,"avatar_url":"https://avatars.githubusercontent.com/u/1132713?v=3","gravatar_id":"","url":"https://api.github.com/users/mantid-roman","html_url":"https://github.com/mantid-roman","followers_url":"https://api.github.com/users/mantid-roman/followers","following_url":"https://api.github.com/users/mantid-roman/following{/other_user}","gists_url":"https://api.github.com/users/mantid-roman/gists{/gist_id}","starred_url":"https://api.github.com/users/mantid-roman/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mantid-roman/subscriptions","organizations_url":"https://api.github.com/users/mantid-roman/orgs","repos_url":"https://api.github.com/users/mantid-roman/repos","events_url":"https://api.github.com/users/mantid-roman/events{/privacy}","received_events_url":"https://api.github.com/users/mantid-roman/received_events","type":"User","site_admin":false},"assignees":[{"login":"mantid-roman","id":1132713,"avatar_url":"https://avatars.githubusercontent.com/u/1132713?v=3","gravatar_id":"","url":"https://api.github.com/users/mantid-roman","html_url":"https://github.com/mantid-roman","followers_url":"https://api.github.com/users/mantid-roman/followers","following_url":"https://api.github.com/users/mantid-roman/following{/other_user}","gists_url":"https://api.github.com/users/mantid-roman/gists{/gist_id}","starred_url":"https://api.github.com/users/mantid-roman/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mantid-roman/subscriptions","organizations_url":"https://api.github.com/users/mantid-roman/orgs","repos_url":"https://api.github.com/users/mantid-roman/repos","events_url":"https://api.github.com/users/mantid-roman/events{/privacy}","received_events_url":"https://api.github.com/users/mantid-roman/received_events","type":"User","site_admin":false}],"milestone":{"url":"https://api.github.com/repos/mantidproject/mantid/milestones/58","html_url":"https://github.com/mantidproject/mantid/milestones/Release%203.8","labels_url":"https://api.github.com/repos/mantidproject/mantid/milestones/58/labels","id":1505614,"number":58,"title":"Release 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