.. index:: pair: namespace; prism3 .. _doxid-namespaceprism3: namespace prism3 ================ .. toctree:: :hidden: Overview ~~~~~~~~ .. ref-code-block:: cpp :class: doxyrest-overview-code-block namespace prism3 { // global functions int :ref:`findBulkPrisms`(const std::vector>& rings, std::vector<:ref:`ring::strucType`>& ringType, const std::vector>& nList, :ref:`molSys::PointCloud`<:ref:`molSys::Point`, double>& yCloud, std::vector& rmsdPerAtom, double heightCutoff = 8); bool :ref:`basalPrismConditions`(const std::vector>& nList, std::vector& basal1, std::vector& basal2); bool :ref:`relaxedPrismConditions`(const std::vector>& nList, std::vector& basal1, std::vector& basal2); bool :ref:`basalRingsSeparation`(:ref:`molSys::PointCloud`<:ref:`molSys::Point`, double>& yCloud, const std::vector& basal1, const std::vector& basal2, double heightCutoff = 8); } // namespace prism3 .. _details-namespaceprism3: Detailed Documentation ~~~~~~~~~~~~~~~~~~~~~~ Global Functions ---------------- .. index:: pair: function; findBulkPrisms .. _doxid-namespaceprism3_1a1ba0089123227ca022acc1ce38baf7ee: .. ref-code-block:: cpp :class: doxyrest-title-code-block int findBulkPrisms(const std::vector>& rings, std::vector<:ref:`ring::strucType`>& ringType, const std::vector>& nList, :ref:`molSys::PointCloud`<:ref:`molSys::Point`, double>& yCloud, std::vector& rmsdPerAtom, double heightCutoff = 8) Find out which rings are prisms. .. index:: pair: function; basalPrismConditions .. _doxid-namespaceprism3_1ab03946085dcf2e67583da676ab7f869f: .. ref-code-block:: cpp :class: doxyrest-title-code-block bool basalPrismConditions(const std::vector>& nList, std::vector& basal1, std::vector& basal2) Tests whether two rings are basal rings (true) or not (false) for a prism (strict criterion) .. index:: pair: function; relaxedPrismConditions .. _doxid-namespaceprism3_1abbcd706f2576f374e6037e9073815ee8: .. ref-code-block:: cpp :class: doxyrest-title-code-block bool relaxedPrismConditions(const std::vector>& nList, std::vector& basal1, std::vector& basal2) Reduced criterion: Two candidate basal rings of a prism block should have at least one bond between them. .. index:: pair: function; basalRingsSeparation .. _doxid-namespaceprism3_1ad85e1c83d20a91d7e8678f5facc7cb7a: .. ref-code-block:: cpp :class: doxyrest-title-code-block bool basalRingsSeparation(:ref:`molSys::PointCloud`<:ref:`molSys::Point`, double>& yCloud, const std::vector& basal1, const std::vector& basal2, double heightCutoff = 8) Check to see that candidate basal prisms are not really far from each other.