WO2021004020A1 - 一种用于复杂web3D场景下用户交互的系统和方法 - Google Patents
一种用于复杂web3D场景下用户交互的系统和方法 Download PDFInfo
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- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
- G06T19/00—Manipulating 3D models or images for computer graphics
- G06T19/20—Editing of 3D images, e.g. changing shapes or colours, aligning objects or positioning parts
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- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06F—ELECTRIC DIGITAL DATA PROCESSING
- G06F40/00—Handling natural language data
- G06F40/10—Text processing
- G06F40/12—Use of codes for handling textual entities
- G06F40/14—Tree-structured documents
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- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
- G06T17/00—Three dimensional [3D] modelling, e.g. data description of 3D objects
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- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
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- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
- G06T2200/00—Indexing scheme for image data processing or generation, in general
- G06T2200/24—Indexing scheme for image data processing or generation, in general involving graphical user interfaces [GUIs]
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- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
- G06T2219/00—Indexing scheme for manipulating 3D models or images for computer graphics
- G06T2219/20—Indexing scheme for editing of 3D models
- G06T2219/2004—Aligning objects, relative positioning of parts
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- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
- G06T2219/00—Indexing scheme for manipulating 3D models or images for computer graphics
- G06T2219/20—Indexing scheme for editing of 3D models
- G06T2219/2012—Colour editing, changing, or manipulating; Use of colour codes
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- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/80—Data visualisation
Definitions
- the present invention belongs to the field of chemical computing, and specifically relates to a system and method for user interaction in a complex web 3D scene.
- 3D tools have become a reality. Due to the complex structure of many chemical molecules or crystals, a large amount of data calculations will be generated during 3D rendering. Therefore, optimization of performance is particularly important.
- the purpose of this solution is to solve the problem of 3D molecular visualization interaction in the browser environment. The time-consuming calculations caused the stall and insufficient rendering frame rate.
- the current interactive operations in the web 3D scene are first based on the click-and-picking of objects in the 3D scene.
- the main solution for the pickup of objects in the 3D scene is ray picking.
- the present invention provides a system for user interaction in a complex web 3D scene, including a receiving module, a transmitting module, and a 3D model module;
- Receiving module receiving molecular data, mol files, cif files, and custom structures containing crystal information Body
- Transmission module After parsing the received molecular data, enter two branch modules at the same time;
- the branch module includes:
- View layer unit manages the rendering of the browser and the construction of the 3D model, and the data generated by this branch will finally be presented on the browser page;
- Data layer unit processing 3D picking-related business logic, and establishing a list of related model index information for atoms, covalent bonds, hydrogen bonds, and flexible angles in molecular data;
- 3D model module A color and 3D model-corresponding relationship will be established. All 3D models that need to be picked up will have a unique index in the data layer.
- the molecular data adopts a mol file, a cif file, and a custom structure containing crystal information.
- the present invention provides a method for user interaction in a complex web 3D scene, which includes the following steps:
- Step A After receiving the molecular data, analyze the data;
- Step B After that, two branch modules will be entered at the same time, including a first branch module and a second branch module.
- the first branch module serves as the view layer and mainly handles browser rendering and 3D model construction. The generated data will finally be presented on the browser page;
- Step C The second branch module serves as a data layer, which is specifically responsible for processing 3D pickup-related business logic, and establishes a list of index information of related models for atoms and covalent bonds in molecular data;
- Step D Establish corresponding simplified model data in an invisible 3D scene according to requirements, and establish a one-to-one correspondence between color and 3D model. All 3D models that need to be picked up will be in the data layer Has a unique index.
- the index is a hexadecimal color, from #00000 #FFFFFE, a total of 16*16*16*16*16*16-2 units can be marked, but not on the browser page Render on.
- FIG. 1 is a visual cone model under perspective projection in the prior art
- FIG. 2 is a frustum model under orthogonal projection in the prior art.
- FIG. 3 is a perspective view of the cone.
- FIG. 4 shows the flow of the 3D picking scheme
- L2 represents the relevant data of the 3D scene rendered in the browser page, which corresponds to the data generated by the view layer in FIG. 1; L1 can be regarded as a computer screen.
- Figure 4 shows the flow of the 3D picking program, after receiving molecular data (mol, cif files),.
- branch module on the left is used as the view layer, which mainly deals with the rendering of the browser and the construction of the 3D model.
- the data generated by the branch will finally be presented on the browser page .
- branch module on the right as the data layer is responsible for processing 3D pick-up related business logic, and establishes a list of related model index information for atoms and covalent bonds in molecular data.
- the data generated by this branch module is always Operate in memory, and create corresponding simplified model data in an invisible 3D scene according to requirements, and establish a one-to-one correspondence between color and 3D model, and all 3D models that need to be picked up will be in the data
- There is a unique index in the layer which is A hexadecimal color can mark 16*16*16*16*16*16-2 units in total without rendering on the browser page.
- L2 represents the relevant data of the 3D scene rendered in the browser page, which corresponds to the data generated by the view layer in FIG. 4;
- L1 can be regarded as a computer screen.
- a 3D picking operation is triggered.
- the pick-up module will obtain the screen click position of the point and construct a temporary virtual plane, which is similar to the computer screen L1.
- the plane is the projection of the 3D model data on the 2D plane, just like the sphere S1 is projected on L1
- the above is shown as a circle P1, the projected 2D shape on the virtual plane uses the index of the projected 3D model as its own color.
- the index of an atom in the 3D space in the picking module is #123456, then On the virtual plane temporarily constructed by the pickup module, the color of the circle mapped on the plane is #123456. After the community module reads the color #123456 of the mouse position on the virtual plane, the color is used as index information , The 3D model corresponding to the position is found without calculation, and the 3D object information at this point is successfully picked up. In this process, a large number of calculation processes are avoided and the data calculation of the 3D model that does not need to be picked is reduced. Cost, thereby increasing the rendering frame rate of the 3D scene.
- 1x1x1 as shown in FIG. 7, 2x2x2, as shown in FIG. 8, and 3x3x3 as shown in FIG. 9.
- 3x3x3 lattice expansion is to expand in the three directions of oa, ob, and oc.
- 3x3x3 lattice expansion is to expand in the three directions of oa, ob, and oc.
Abstract
一种用于复杂web 3D场景下用户交互的系统和方法,涉及化学计算领域。所述系统包括接收模块、传送模块和3D模型模块;接收模块,用于接收分子数据;传送模块,用于将接收到的分子数据进行解析后,同时传送进入两个分支模块,包括第一分支模块和第二分支模块;第一分支模块作为视图层单元,用于处理浏览器的渲染和3D模型的构建,该分支产生的数据会最终呈现在浏览器的页面;第二分支模块作为数据层单元,用于处理3D的拾取相关的业务逻辑,针对分子数据中的原子、共价键等建立相关模型的索引信息的列表;3D模型模块,用于建立一个颜色和3D模型一一对应的关系,所有的需要被拾取的3D模型都会在数据层中具有一个唯一的索引。所述系统针对web 3D分子可视化的拾取可精简分子的展示模型(棍状模型)较少渲染上的模型数据的计算开销。
Description
发明名称:一种用于复杂 web3D场景下用户交互的系统和方法 技术领域
[0001] 本发明属于化学计算领域, 具体涉及一种用于复杂 web 3D场景下用户交互的系 统和方法。
背景技术
) 的描述文件以此方便不同的研究组织和机构对同一结构的化学分子或晶体达 成共识, 而 cif、 mol等纯文本格式的数据不利于研究人员直观的观察对应的化学 结构的 3D结构, 虽然在化学领域存在着相关的 3D结构展示的软件, 但是这些客 户端的应用不利于推广使用及传播使用, 而随着现代浏览器性能的提升和 web 3D技术的更新, 基于 JavaScript的编程语言的开发的在浏览器内可以运行的 3D展 示及交互的 web
3d工具成为现实, 由于不少化学分子或晶体结构复杂, 在进行 3D渲染时会产生 大量的数据计算, 因此对于性能的优化尤为重要, 该方案的目的在于解决浏览 器环境下 3D分子可视化交互上的计算耗时导致的卡顿及渲染帧率不足的问题。
[0003] 目前在 web 3D场景中的交互操作首先是要基于 3D场景中的物体的点击拾取的 , 目前针对 3D场景中物体的拾取主要的方案就是射线法拾取。
[0004] 在 webgl渲染引擎中所渲染的物体都位于一个叫做视椎体的空间之中。 如图 1和 图 2所示。
发明概述
技术问题
问题的解决方案
技术解决方案
[0005] 为了解决以上技术问题, 本发明提供一种用于复杂 web 3D场景下用户交互的系 统包括接收模块、 传送模块和 3D模型模块;
[0006] 接收模块: 接收分子数据, mol文件、 cif^:件以及包含晶体信息的自定义结构
体;
[0007] 传送模块: 将接收到的分子数据进行解析后, 同时进入两个分支模块;
[0008] 所述分支模块包括:
[0009] 视图层单元: 理浏览器的渲染和 3D模型的构建, 该分支产生的数据会最终呈现 在浏览器的页面;
[0010] 数据层单元: 处理 3D的拾取相关的业务逻辑, 针对分子数据中的原子、 共 价键、 氢键、 柔性角建立了相关模型的索引信息的列表;
[0011] 3D模型模块: 并会建立一个颜色和 3D模型 -对应的关系, 所有的需要被拾 取的 3D模型都会在数据层中具有一个唯一的索引。
[0012] 优选的, 所述分子数据采用 mol文件、 cif文件以及包含晶体信息的自定义结构 体。
[0013] 相应的, 本发明提供一种用于复杂 web 3D场景下用户交互的方法, 包括如下几 个步骤:
[0014] 步骤 A:接收到分子数据后, 据进行解析;
[0015] 步骤 B:之后会同时进入两个分支模块, 包括第一分支模块和第二分支模块, 所 述第一分支模块作为视图层, 主要处理浏览器的渲染和 3D模型的构建, 该分支 产生的数据会最终呈现在浏览器的页面;
[0016] 步骤 C:所述第二分支模块作为数据层, 专门负责处理 3D的拾取相关的业务逻辑 , 针对分子数据中的原子、 共价键等建立了相关模型的索引信息的列表;
[0017] 步骤 D:根据需求在一个不可见的 3D场景中建立对应的简化的模型数据, 并会建 立一个颜色和 3D模型一一对应的关系所有的需要被拾取的 3D模型都会在数据层 中具有一个唯一的索引。
[0018] 其中, 所述索引就是一个 16进制的颜色, 其从 #00000 #FFFFFE,总计可以标 记 16*16*16*16*16*16 - 2个单位, 而不会在浏览器的页面上进行渲染。
发明的有益效果
有益效果
[0019] 本发明带来了如下有益效果:
[0020] 1、 该方案针对 web 3D分子可视化的拾取首先精简分子的展示模型 (棍状模型
) 较少渲染上的模型数据的计算开销。
[0021] 2、 通过建立不需要渲染的数据层的精简化的可拾取的模型数据, 减少了 3D场 景渲染的开销, 避免了不必要拾取的模型数据的构建。
对附图的简要说明
附图说明
[0022] 图 1是现有技术中透视投影下的视椎体模型,
[0023] 图 2是现有技术中正交投影下的视椎体模型。
[0024] 图 3是透视投影的视椎体。
[0025] 图 4中显示了该 3D拾取方案的流程
[0026] 图 5中, L2表示的是浏览器页面中所渲染的 3D场景的相关数据, 对应于图 1中 视图层所产生的数据; L1可视为计算机的屏幕。
[0027] 图 6 -图 9为本发明的效果图
实施该发明的最佳实施例
本发明的最佳实施方式
[0028] 在此处键入本发明的最佳实施方式描述段落。
发明实施例
本发明的实施方式
[0029] 下面结合附图, 对本发明的较优的实施例作进一步的详细说明:
[0030] 实施例 1
[0031] 图 4中显示了该 3D拾取方案的流程, 在接收到分子数据 (mol、 cif文件) 后, .
[0032] 据进行解析, 之后会同时进入两个分支模块, 左侧的分支模块作为视图层, 主 要处理浏览器的渲染和 3D模型的构建, 该分支产生的数据会最终呈现在浏览器 的页面, 而右侧的分支模块作为数据层, 专门负责处理 3D的拾取相关的业务逻 辑, 针对分子数据中的原子、 共价键等建立了相关模型的索引信息的列表, 该 分支模块产生的数据始终在内存中进行操作, 并根据需求在一个不可见的 3D场 景中建立对应的简化的模型数据, 并会建立一个颜色和 3D模型一一对应的关系 , 所有的需要被拾取的 3D模型都会在数据层中具有一个唯一的索引,该索引就是
一个 16进制的颜色, 总计可以标记 16*16*16*16*16*16 - 2个单位, 而不会在浏览器的页面上进行渲染。
[0033] 实施例 2
[0034] 如图 5所示, L2表示的是浏览器页面中所渲染的 3D场景的相关数据, 对应于图 4中视图层所产生的数据; L1可视为计算机的屏幕。 当用户点击屏幕上的一点 P1 时, 一个 3D拾取操作就被触发。 当用户点击屏幕上点?1时, 拾取相模块会获得 该点的屏幕点击位置, 并构建一个临时的虚拟平面, 这个平面类似于计算机屏 幕 L1, 平面上是 3D模型数据在 2D平面上的投影, 如同球体 S1投影在 L1上表现为 圆 P1—样, 在虚拟平面上的被投影的 2D形状都以投影出自己的 3D模型的索引作 为自己的颜色, 比如, 3D空间中一个原子在拾取模块的索引是 #123456 , 那在拾 取模块临时构建的虚拟平面上, 该原子映射在平面上的圆的颜色就是 #123456, 在社区模块读取到鼠标位置在该虚拟平面上的颜色 #123456之后, 就根据该颜色 作为索引信息, 无需计算就找到了该位置对应的 3D模型, 从而成功的拾取到了 该点 3D物体信息, 在这一过程中避免了大量的计算过程, 同时减少了不需要被 拾取的 3D模型的数据计算的开销, 以此提升了 3D场景的渲染帧率。
[0035] 1x1x1:如图 7所示, 2x2x2,如图 8所示, 3x3x3如图 9所示。
[0036] 说明: 3x3x3晶格展开就是在 oa、 ob、 oc三个方向上进行扩展, 有单个晶格扩 展成 3x3x3=27个晶格组成的立方体, 2x2x2即扩展出 8个单晶格的立方体。
[0037] 效果对比 (使用阿司匹林 (aspirin) 的结构进行对比测试) 如表 1所示:
[0038] 表 1
[]
[表 1]
[0039] 说明: 3x3x3晶格展开就是在 oa、 ob、 oc三个方向上进行扩展, 有单个晶格扩 展成 3x3x3=27个晶格组成的立方体, 2x2x2即扩展出 8个单晶格的立方体。
[0040] 以上内容是结合具体的优选实施方式对本发明所作的进一步详细说明, 不能认 定本发明的具体实施只局限于这些说明。 对于本发明所属技术领域的普通技术 人员来说, 在不脱离本发明构思的前提下, 还可以做出若干简单推演或替换, 都应当视为属于本发明的保护范围。
Claims
[权利要求 1] 一种用于复杂 web 3D场景下用户交互的系统, 其特征在于, 包括接 收模块、 传送模块和 3D模型模块;
接收模块: 接收分子数据;
传送模块: 将接收到的分子数据进行解析后, 同时进入两个分支模块 所述分支模块包括:
视图层单元: 理浏览器的渲染和 3D模型的构建, 该分支产生的数据 会最终呈现在浏览器的页面;
数据层单元: 处理 3D的拾取相关的业务逻辑, 针对分子数据中的 原子、 共价键等建立了相关模型的索引信息的列表;
3D模型模块: 并会建立一个颜色和 3D模型 -对应的关系, 所有的 需要被拾取的 3D模型都会在数据层中具有一个唯一的索引。
[权利要求 2] 一种如权利要求 1所述的用于复杂 web 3D场景下用户交互的方法, 其 特征在于, 包括如下几个步骤:
步骤 A:接收到分子数据后, 据进行解析;
步骤 B:之后会同时进入两个分支模块, 包括第一分支模块和第二分支 模块, 所述第一分支模块作为视图层, 主要处理浏览器的渲染和 3D 模型的构建, 该分支产生的数据会最终呈现在浏览器的页面; 步骤 C:所述第二分支模块作为数据层, 专门负责处理 3D的拾取相关 的业务逻辑, 针对分子数据中的原子、 共价键等建立了相关模型的索 引信息的列表;
步骤 D:根据需求在一个不可见的 3D场景中建立对应的简化的模型数 据, 并会建立一个颜色和 3D模型一一对应的关系所有的需要被拾取 的 3D模型都会在数据层中具有一个唯一的索引。
[权利要求 3] 如权利要求 2所述的方法, 其特征在于, 所述索引就是一个 16进制的 颜色, 其从 #00000^lj#FFFFFE,总计可以标记 16*16*16*16*16*16- 2 个单位, 而不会在浏览器的页面上进行渲染。
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