.. index:: pair: namespace; sout
.. _doxid-namespacesout:

namespace sout
==============

.. toctree::
	:hidden:

Overview
~~~~~~~~




.. ref-code-block:: cpp
	:class: doxyrest-overview-code-block

	
	namespace sout {

	// global functions

	int :ref:`makePath<doxid-namespacesout_1a3985775f30d7920fbf13f12386abefc1>`(const std::string& path);
	int :ref:`writeRings<doxid-namespacesout_1aa5a5fe7be0281da3e75c9c45c7bc005d>`(const std::vector<std::vector<int>>& rings, std::string filename = "rings.dat");
	int :ref:`writePrismNum<doxid-namespacesout_1a74916a9878dd9f8234f493d8d67e0588>`(std::string path, const std::vector<int>& nPrisms, const std::vector<int>& nDefPrisms, const std::vector<double>& heightPercent, int maxDepth, int currentFrame, int firstFrame);
	int :ref:`writeRingNum<doxid-namespacesout_1a565b4993e658b431acc2fb314dbde015>`(std::string path, int currentFrame, const std::vector<int>& nRings, const std::vector<double>& coverageAreaXY, const std::vector<double>& coverageAreaXZ, const std::vector<double>& coverageAreaYZ, int maxDepth, int firstFrame);
	int :ref:`writeRingNumBulk<doxid-namespacesout_1a971cb6b5c97b5b9ba3d552f0a6c47055>`(std::string path, int currentFrame, const std::vector<int>& nRings, int maxDepth, int firstFrame);
	int :ref:`printRDF<doxid-namespacesout_1a77cc523102fc57d203495a657703dab5>`(std::string fileName, std::vector<double>& rdfValues, double binwidth, int nbin);
	int :ref:`writeTopoBulkData<doxid-namespacesout_1a5ca5eeff9edc702cdcf1b26e8501dc0c>`(std::string path, int currentFrame, int numHC, int numDDC, int mixedRings, int basalRings, int prismaticRings, int firstFrame);
	int :ref:`writePrisms<doxid-namespacesout_1a5bf62f6266ab17b7e0aaab15dddb0267>`(std::vector<int>& basal1, std::vector<int>& basal2, int prismNum, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud);
	int :ref:`writeClusterStats<doxid-namespacesout_1aee17b8438205b4b88aad8a481c533ba5>`(std::string path, int currentFrame, int largestCluster, int numOfClusters, int smallestCluster, double avgClusterSize, int firstFrame);
	int :ref:`writeMoleculeIDsInSlice<doxid-namespacesout_1a5d8a2d2b1746ed2e1deba049593ded7b>`(std::string path, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud);
	int :ref:`writeMoleculeIDsExpressionSelectOVITO<doxid-namespacesout_1af556b48a2b7f51da88108dfc7ecf9623>`(std::string path, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud);
	int :ref:`writeLAMMPSdata<doxid-namespacesout_1a5b26e7213f27b9506c4eea7e8998edc9>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, std::vector<std::vector<int>> rings, std::vector<std::vector<int>> bonds, std::string filename = "system-rings.data");
	int :ref:`writeLAMMPSdumpINT<doxid-namespacesout_1a3b1cccfe3d5fc641d200b9ef3c31f041>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<double>& rmsdPerAtom, const std::vector<int>& atomTypes, int maxDepth, std::string path);
	int :ref:`writeLAMMPSdumpSlice<doxid-namespacesout_1a46251e11ffd9fab32a85c6e80e98ca0c>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, std::string path);
	int :ref:`writeLAMMPSdumpCages<doxid-namespacesout_1a1f96c3a3ef2e7d902c4f183320bd6151>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<double>& rmsdPerAtom, const std::vector<int>& atomTypes, std::string path, int firstFrame);
	int :ref:`writeLAMMPSdataAllPrisms<doxid-namespacesout_1a4bc27d1a493f6ac1baea341587486142>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& nList, const std::vector<int>& atomTypes, int maxDepth, std::string path, bool doShapeMatching = false);
	int :ref:`writeLAMMPSdataAllRings<doxid-namespacesout_1abddd6a343317271ce30245c88e4ed66c>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& nList, const std::vector<int>& atomTypes, int maxDepth, std::string path, bool isMonolayer = true);
	int :ref:`writeLAMMPSdataTopoBulk<doxid-namespacesout_1a0955d323d41c351af8a878c29acb0248>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& nList, const std::vector<:ref:`cage::iceType<doxid-group__cage_1gaaac41828990e32b9d6e7db4426b61529>`>& atomTypes, std::string path, bool bondsBetweenDummy = false);
	int :ref:`writeLAMMPSdataPrisms<doxid-namespacesout_1af0da7bd8c480ab8e9fb74cd634fb8877>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& rings, bool useBondFile, std::string bondFile, const std::vector<int>& listPrism, const std::vector<std::vector<int>>& nList, std::string filename = "system-prisms.data");
	int :ref:`writeLAMMPSdataCages<doxid-namespacesout_1afad3207fe70a1e45c079465f1ac44104>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& rings, std::vector<:ref:`cage::Cage<doxid-structcage_1_1_cage>`>& cageList, :ref:`cage::cageType<doxid-group__cage_1ga5787314f51b5927c213db48b81c21d95>` type, int numCages, std::string filename = "system-cages.data");
	int :ref:`writeAllCages<doxid-namespacesout_1aa6dec898d176414e84433fb08318db4f>`(std::string path, std::vector<:ref:`cage::Cage<doxid-structcage_1_1_cage>`>& cageList, const std::vector<std::vector<int>>& rings, const std::vector<std::vector<int>>& nList, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, int currentFrame);
	int :ref:`writeEachCage<doxid-namespacesout_1aa4a162332246b965cde05f838e068f2c>`(const std::vector<int>& currentCage, int cageNum, :ref:`cage::cageType<doxid-group__cage_1ga5787314f51b5927c213db48b81c21d95>` type, const std::vector<std::vector<int>>& rings, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud);
	int :ref:`writeBasalRingsHex<doxid-namespacesout_1a37163ab84cced80535282af04a7b6238>`(const std::vector<int>& currentCage, int cageNum, const std::vector<std::vector<int>>& nList, const std::vector<std::vector<int>>& rings);
	int :ref:`writeBasalRingsPrism<doxid-namespacesout_1aae3f9c739ed902feed13bf1572dbf619>`(std::vector<int>& basal1, std::vector<int>& basal2, int prismNum, const std::vector<std::vector<int>>& nList, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, bool isDeformed);
	int :ref:`writeDump<doxid-namespacesout_1a6cc62aedecc8a19b34725616fbb8bdab>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, std::string path, std::string outFile);
	int :ref:`writeHisto<doxid-namespacesout_1a27fa17268ba7c153cb879ff53022eee7>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& nList, const std::vector<double>& avgQ6);
	int :ref:`writeCluster<doxid-namespacesout_1abf5ebc975df1bd370e73d7390cd30f68>`(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, std::string fileName = "cluster.txt", bool isSlice = false, int largestIceCluster = 0);
	int :ref:`writeXYZcluster<doxid-namespacesout_1a2b208dcfe7724d9af7b158dfd15c808d>`(std::string path, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<int>& atoms, int clusterID, :ref:`cage::cageType<doxid-group__cage_1ga5787314f51b5927c213db48b81c21d95>` type);

	} // namespace sout
.. _details-namespacesout:

Detailed Documentation
~~~~~~~~~~~~~~~~~~~~~~



Global Functions
----------------

.. index:: pair: function; makePath
.. _doxid-namespacesout_1a3985775f30d7920fbf13f12386abefc1:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int makePath(const std::string& path)

Inline function for creating the desired directory (and parents).

Uses std::filesystem for portability.



.. rubric:: Parameters:

.. list-table::
	:widths: 20 80

	*
		- path

		- The path of the directory



.. rubric:: Returns:

0 on success, 1 on failure

.. index:: pair: function; writeRings
.. _doxid-namespacesout_1aa5a5fe7be0281da3e75c9c45c7bc005d:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeRings(const std::vector<std::vector<int>>& rings, std::string filename = "rings.dat")

Function for printing out ring info, when there is no volume slice.

.. index:: pair: function; writePrismNum
.. _doxid-namespacesout_1a74916a9878dd9f8234f493d8d67e0588:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writePrismNum(std::string path, const std::vector<int>& nPrisms, const std::vector<int>& nDefPrisms, const std::vector<double>& heightPercent, int maxDepth, int currentFrame, int firstFrame)

Function for printing out the number of prism blocks, with or without slices.

Be careful when using slices!

.. index:: pair: function; writeRingNum
.. _doxid-namespacesout_1a565b4993e658b431acc2fb314dbde015:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeRingNum(std::string path, int currentFrame, const std::vector<int>& nRings, const std::vector<double>& coverageAreaXY, const std::vector<double>& coverageAreaXZ, const std::vector<double>& coverageAreaYZ, int maxDepth, int firstFrame)

Function for printing out the coverage area and the number of rings of each type.

.. index:: pair: function; writeRingNumBulk
.. _doxid-namespacesout_1a971cb6b5c97b5b9ba3d552f0a6c47055:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeRingNumBulk(std::string path, int currentFrame, const std::vector<int>& nRings, int maxDepth, int firstFrame)

Function for printing out the number of rings of each type in a bulk system.

.. index:: pair: function; printRDF
.. _doxid-namespacesout_1a77cc523102fc57d203495a657703dab5:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int printRDF(std::string fileName, std::vector<double>& rdfValues, double binwidth, int nbin)

Function for printing out the RDF, given the filename.

.. index:: pair: function; writeTopoBulkData
.. _doxid-namespacesout_1a5ca5eeff9edc702cdcf1b26e8501dc0c:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeTopoBulkData(std::string path, int currentFrame, int numHC, int numDDC, int mixedRings, int basalRings, int prismaticRings, int firstFrame)

Function for printing out the number of DDCs, HCs, mixed rings, basal and prismatic rings.

.. index:: pair: function; writePrisms
.. _doxid-namespacesout_1a5bf62f6266ab17b7e0aaab15dddb0267:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writePrisms(std::vector<int>& basal1, std::vector<int>& basal2, int prismNum, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud)

Function for writing out each prism.

.. index:: pair: function; writeClusterStats
.. _doxid-namespacesout_1aee17b8438205b4b88aad8a481c533ba5:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeClusterStats(std::string path, int currentFrame, int largestCluster, int numOfClusters, int smallestCluster, double avgClusterSize, int firstFrame)

Function for writing out cluster statistics.

.. index:: pair: function; writeMoleculeIDsInSlice
.. _doxid-namespacesout_1a5d8a2d2b1746ed2e1deba049593ded7b:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeMoleculeIDsInSlice(std::string path, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud)

Function for printing out the molecule IDs present in the slice (compatible with the LAMMPS group command.

.. index:: pair: function; writeMoleculeIDsExpressionSelectOVITO
.. _doxid-namespacesout_1af556b48a2b7f51da88108dfc7ecf9623:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeMoleculeIDsExpressionSelectOVITO(std::string path, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud)

Function for printing out the molecule IDs present in the slice (compatible with the OVITO Expression Select command.

.. index:: pair: function; writeLAMMPSdata
.. _doxid-namespacesout_1a5b26e7213f27b9506c4eea7e8998edc9:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeLAMMPSdata(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, std::vector<std::vector<int>> rings, std::vector<std::vector<int>> bonds, std::string filename = "system-rings.data")

Write a data file for rings.

.. index:: pair: function; writeLAMMPSdumpINT
.. _doxid-namespacesout_1a3b1cccfe3d5fc641d200b9ef3c31f041:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeLAMMPSdumpINT(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<double>& rmsdPerAtom, const std::vector<int>& atomTypes, int maxDepth, std::string path)

Write out a LAMMPS dump file containing the RMSD per atom.

.. index:: pair: function; writeLAMMPSdumpSlice
.. _doxid-namespacesout_1a46251e11ffd9fab32a85c6e80e98ca0c:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeLAMMPSdumpSlice(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, std::string path)

Write out a LAMMPS dump file containing the inSlice value for each atom for a user-defined slice.

.. index:: pair: function; writeLAMMPSdumpCages
.. _doxid-namespacesout_1a1f96c3a3ef2e7d902c4f183320bd6151:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeLAMMPSdumpCages(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<double>& rmsdPerAtom, const std::vector<int>& atomTypes, std::string path, int firstFrame)

Write out a LAMMPS dump file containing the RMSD per atom for bulk ice.

.. index:: pair: function; writeLAMMPSdataAllPrisms
.. _doxid-namespacesout_1a4bc27d1a493f6ac1baea341587486142:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeLAMMPSdataAllPrisms(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& nList, const std::vector<int>& atomTypes, int maxDepth, std::string path, bool doShapeMatching = false)

Write a data file for prisms of every type.

.. index:: pair: function; writeLAMMPSdataAllRings
.. _doxid-namespacesout_1abddd6a343317271ce30245c88e4ed66c:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeLAMMPSdataAllRings(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& nList, const std::vector<int>& atomTypes, int maxDepth, std::string path, bool isMonolayer = true)

Write a data file for rings of every type for a monolayer.

.. index:: pair: function; writeLAMMPSdataTopoBulk
.. _doxid-namespacesout_1a0955d323d41c351af8a878c29acb0248:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeLAMMPSdataTopoBulk(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& nList, const std::vector<:ref:`cage::iceType<doxid-group__cage_1gaaac41828990e32b9d6e7db4426b61529>`>& atomTypes, std::string path, bool bondsBetweenDummy = false)

Write a data file for a particular frame, writing out topological bulk ice structures (DDCs/HCs)

.. index:: pair: function; writeLAMMPSdataPrisms
.. _doxid-namespacesout_1af0da7bd8c480ab8e9fb74cd634fb8877:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeLAMMPSdataPrisms(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& rings, bool useBondFile, std::string bondFile, const std::vector<int>& listPrism, const std::vector<std::vector<int>>& nList, std::string filename = "system-prisms.data")

Write a data file for prisms of a single type.

.. index:: pair: function; writeLAMMPSdataCages
.. _doxid-namespacesout_1afad3207fe70a1e45c079465f1ac44104:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeLAMMPSdataCages(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& rings, std::vector<:ref:`cage::Cage<doxid-structcage_1_1_cage>`>& cageList, :ref:`cage::cageType<doxid-group__cage_1ga5787314f51b5927c213db48b81c21d95>` type, int numCages, std::string filename = "system-cages.data")

Write out a lammps data file for DDCs or HCs, assuming that there is no slice.

.. index:: pair: function; writeAllCages
.. _doxid-namespacesout_1aa6dec898d176414e84433fb08318db4f:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeAllCages(std::string path, std::vector<:ref:`cage::Cage<doxid-structcage_1_1_cage>`>& cageList, const std::vector<std::vector<int>>& rings, const std::vector<std::vector<int>>& nList, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, int currentFrame)

Write out all cages of all types into a folder called cages inside the output directory.

.. index:: pair: function; writeEachCage
.. _doxid-namespacesout_1aa4a162332246b965cde05f838e068f2c:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeEachCage(const std::vector<int>& currentCage, int cageNum, :ref:`cage::cageType<doxid-group__cage_1ga5787314f51b5927c213db48b81c21d95>` type, const std::vector<std::vector<int>>& rings, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud)

Write out a particular cage to a file.

.. index:: pair: function; writeBasalRingsHex
.. _doxid-namespacesout_1a37163ab84cced80535282af04a7b6238:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeBasalRingsHex(const std::vector<int>& currentCage, int cageNum, const std::vector<std::vector<int>>& nList, const std::vector<std::vector<int>>& rings)

Write out the basal rings of a particular Hexagonal cage.

.. index:: pair: function; writeBasalRingsPrism
.. _doxid-namespacesout_1aae3f9c739ed902feed13bf1572dbf619:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeBasalRingsPrism(std::vector<int>& basal1, std::vector<int>& basal2, int prismNum, const std::vector<std::vector<int>>& nList, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, bool isDeformed)

Write out the basal rings for a particular prism.

.. index:: pair: function; writeDump
.. _doxid-namespacesout_1a6cc62aedecc8a19b34725616fbb8bdab:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeDump(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, std::string path, std::string outFile)

Generic function for writing out to a dump file.

.. index:: pair: function; writeHisto
.. _doxid-namespacesout_1a27fa17268ba7c153cb879ff53022eee7:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeHisto(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<std::vector<int>>& nList, const std::vector<double>& avgQ6)

Function for printing out Q6, Cij and averaged Q3 values as single columns to text files The file names are cij, q6, q3.

.. index:: pair: function; writeCluster
.. _doxid-namespacesout_1abf5ebc975df1bd370e73d7390cd30f68:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeCluster(const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, std::string fileName = "cluster.txt", bool isSlice = false, int largestIceCluster = 0)

Function for printing the largest ice cluster.

.. index:: pair: function; writeXYZcluster
.. _doxid-namespacesout_1a2b208dcfe7724d9af7b158dfd15c808d:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int writeXYZcluster(std::string path, const :ref:`molSys::PointCloud<doxid-structmol_sys_1_1_point_cloud>`<:ref:`molSys::Point<doxid-structmol_sys_1_1_point>`<double>, double>& yCloud, const std::vector<int>& atoms, int clusterID, :ref:`cage::cageType<doxid-group__cage_1ga5787314f51b5927c213db48b81c21d95>` type)

Function for writing out the XYZ files for each cluster.